SCHEMBL112388

SCHEMBL112388

O=C(O)c1cncc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 1.00
POLB P06746 1/20 1.00
HTT P42858 4/20 0.63
ALOX15 P16050 1/20 0.63
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 1/20 0.57
DDO Q99489 1/20 0.57
RAB9A P51151 1/20 0.55
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ROCK2 O75116 1/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
ROCK1 Q13464 1/20 0.51
MAPT P10636 1/20 0.51
EGFR P00533 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29603529 1.00 HCAR2 (1.00) HCAR2POLBHTTALOX15KDM4E
Hydrochloric Acid SCHEMBL30444355 0.98 HCAR2 (0.96) HCAR2POLBHTTALOX15KDM4E
Hydrochloric Acid SCHEMBL9407495 0.98 HCAR2 (0.96) HCAR2POLBHTTALOX15KDM4E
SCHEMBL10500665 0.98 HCAR2 (0.96) HCAR2POLBHTTALOX15KDM4E
Hydrochloric Acid SCHEMBL6525205 0.98 HCAR2 (0.96) HCAR2POLBHTTALOX15KDM4E
SCHEMBL10461109 0.98 HCAR2 (0.96) HCAR2POLBHTTALOX15KDM4E
Ethane SCHEMBL28837432 0.96 HCAR2 (0.92) HCAR2POLBHTTALOX15KDM4E
Formaldehyde SCHEMBL27682220 0.96 HCAR2 (0.92) HCAR2POLBHTTALOX15KDM4E
Nitrous Acid SCHEMBL27664646 0.92 HCAR2 (0.85) HCAR2POLBHTTALOX15KDM4E
Methylene Chloride SCHEMBL28327546 0.92 HCAR2 (0.85) HCAR2POLBHTTALOX15KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2419 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459395-A Synthesis method of 5- (tert-butoxycarbonylamino) piperidine-3-carboxylic acid methyl ester 南通大学 2024-08-09 CN claimed
CN-116987064-B Preparation method and application of pyrimidine bisnicotinamide derivative 宁夏佰斯特医药化工有限公司 2024-01-26 CN claimed
CN-114671861-B Wogonin derivative and preparation method and application thereof 安徽医科大学 2023-11-24 CN claimed
CN-114716434-B Nicergoline bulk drug and synthesis process thereof 海南久常制药有限公司 2023-11-17 CN claimed
CN-116987064-A Preparation method and application of pyrimidine bisnicotinamide derivative 宁夏佰斯特医药化工有限公司 2023-11-03 CN claimed
CN-114573562-B Niacin-containing triazole compound and preparation method and application thereof 西安交通大学 2023-07-07 CN claimed
CN-111116580-B Improved preparation method of nicergoline 上海应用技术大学 2022-08-23 CN claimed
EP-3541402-B1 C3A RECEPTOR AGONISTS FOR USE AGAINST ISCHEMIC BRAIN INJURY PEKNA MARCELA (SE) 2022-07-20 EP claimed
CN-108546225-B Process for producing nitrile and corresponding amine 中国石化扬子石油化工有限公司 2022-07-15 CN claimed
CN-114716434-A Nicergoline raw material medicine and synthesis process thereof 海南久常制药有限公司 2022-07-08 CN claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0251732-B1 PROCESS FOR THE PREPARATION OF 2-HALOGENATED ERGOLINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1993-04-28 EP claimed
CN-1015365-B PROCESS FOR THE PREPARATION OF 2-HALONICERGOLINE DERIVATIVES AND THEIR ACID ADDITION SALTS AND NEW 2-HALONICERGOLINES RICHTER GEDEON VEGYESZET (HU) 1992-02-05 CN claimed
US-4980475-A Process for the preparation of N-10 alpha-methoxyl-lumilysergol and esters, thereof, and intermediates for their preparation I D B HOLDING S.P.A. (IT) 1990-12-25 US claimed
EP-0156645-B1 PROCESS FOR THE PREPARATION OF N1-METHYL-10ALPHA-METHOXYLUMILYSERGOL AND ESTERS THEREOF, AND INTERMEDIATES FOR THEIR PREPARATION INVERNI DELLA BEFFA S.P.A. (IT) 1989-11-02 EP claimed
EP-0251732-A2 Process for the preparation of 2-halogenated ergoline derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-01-07 EP claimed
CN-86104086-A The preparation method of 2-halogen nicergoline derivatives and its acid salt and new 2-halogen Varson class 1986-12-17 CN claimed
EP-0156645-A2 Process for the preparation of N1-methyl-10alpha-methoxylumilysergol and esters thereof, and intermediates for their preparation INVERNI DELLA BEFFA S.P.A. (IT) 1985-10-02 EP claimed
US-4232157-A Process for preparing lysergol derivatives ISTITUTO CHEMIOTERAPICO DI LODI SPA, A CORP OF ITALY (IT) 1980-11-04 US claimed