SCHEMBL186741

SCHEMBL186741

N#Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 1.00
IMPDH1 P20839 1/20 1.00
DYRK1A Q13627 3/20 0.53
LRRK2 Q5S007 1/20 0.52
APP P05067 1/20 0.49
ATM Q13315 1/20 0.48
GPR84 Q9NQS5 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRKD3 O94806 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL29820843 1.00 IMPDH2 (1.00) IMPDH2IMPDH1DYRK1ALRRK2APP
Hydrochloric Acid SCHEMBL7697252 0.98 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ALRRK2APP
SCHEMBL28328494 0.98 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ALRRK2APP
Hydrochloric Acid SCHEMBL7431978 0.98 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ALRRK2APP
SCHEMBL5010332 0.84 IMPDH2 (0.72) IMPDH2IMPDH1DYRK1ALRRK2APP
1-Naphthol SCHEMBL28171602 0.83 IMPDH2 (0.70) IMPDH2IMPDH1DYRK1ALRRK2APP
SCHEMBL17506602 0.82 IMPDH2 (0.69) IMPDH2IMPDH1APPATMGPR84
SCHEMBL5931727 0.80 IMPDH2 (0.67) IMPDH2IMPDH1AHRPRKCQ
SCHEMBL28602064 0.80 IMPDH2 (0.64) IMPDH2IMPDH1DYRK1ALRRK2MEN1
SCHEMBL31264046 0.79 IMPDH2 (0.65) IMPDH2IMPDH1APPMEN1CYP3A4

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

Claimed or disclosed in 1302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117653741-A Photosensitizer and biological ferric oxide nano material mediated tumor targeting particles and application thereof 中国科学院长春应用化学研究所 2024-03-08 CN claimed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
CN-112920170-B N- (indol-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2023-06-20 CN claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-114409571-B Synthesis method of nitrile compound 重庆医科大学 2023-05-12 CN claimed
CN-113930792-B Electrochemical preparation method of 3-cyanoindole compound 华南理工大学 2023-04-21 CN claimed
WO-2023274003-A1 ANTIBACTERIAL USE OF HEPTAMETHINE INDOCYANINE OR DERIVATIVES THEREOF 中国人民解放军陆军军医大学 2023-01-05 WO claimed
CN-115508329-A Method for detecting novel coronavirus N protein based on surface enhanced Raman spectroscopy 厦门大学 2022-12-23 CN claimed
CN-115160817-A Near-infrared cyanine dye and preparation method thereof 北京天罡助剂有限责任公司 2022-10-11 CN claimed
CN-1654592-A Indole cyanine dyes embedded siliceous skin fluorescent nanoparticle and its preparation method UNIV HUNAN (CN) 2005-08-17 CN claimed
JP-2005523310-A 2005-08-04 JP claimed
CN-1213029-C Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof MERCH PATENT GMBH (DE) 2005-08-03 CN claimed
CN-1200931-C Preparation method of R- (+) -6-formamido-3-N-methylamino-1, 2,3, 4-tetrahydrocarbazole FINARIS CO LTD (GB) 2005-05-11 CN claimed
US-20050019939-A1 Combination marker for liquids and method identification thereof SILICON VALLEY BANK, AS ADMINISTRATIVE AGENT 2005-01-27 US claimed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP claimed
WO-2004046143-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-06-03 WO claimed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 WO claimed
EP-0611999-B1 Reusable positive-charging organic photoconductor containing phthalocyanine pigment and cross-linking binder HEWLETT PACKARD CO (US) 1999-04-14 EP claimed
US-5529869-A IMPROVED ELECTRICAL CHARGE ACCEPTANCE AND CHARGE RETENTION ABILITY HEWLETT-PACKARD COMPANY (US) 1996-06-25 US claimed