SCHEMBL1156515

SCHEMBL1156515

O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.60
SMAD3 P84022 1/20 0.58
CYP19A1 P11511 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
APEX1 P27695 2/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
PIN1 Q13526 1/20 0.57
PDPK1 O15530 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 3/20 0.53
DAO P14920 1/20 0.53
SRD5A2 P31213 1/20 0.53

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
SCHEMBL1260652 1.00 HRH4 (0.60) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL8794605 0.98 HRH4 (0.59) HRH4SMAD3CYP19A1KDM4EHPGD
Dimethylformamide SCHEMBL28004366 0.90 HRH4 (0.55) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL27885276 0.89 HRH4 (0.61) HRH4CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL396212 0.87 HRH4 (0.60) HRH4SMAD3KDM4EHPGDHSD17B10
SCHEMBL931628 0.87 NHERF1 (0.52) HRH4SMAD3CYP19A1LMNAKMT2A
SCHEMBL5677316 0.86 FLT3 (0.54) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL12862878 0.86 HRH4 (0.62) HRH4CYP19A1ALDH1A1PIN1MAPT
SCHEMBL28680383 0.86 HRH4 (0.59) HRH4CYP19A1ALDH1A1F7F3
SCHEMBL5207050 0.86 HRH4 (0.59) HRH4CYP19A1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110579559-B Derivatization combined LC-MS method for determining allantoin concentration in cell matrix 无锡济煜山禾药业股份有限公司 2022-03-08 CN claimed
CN-110579559-A derivatization combined LC-MS method for determining allantoin concentration in cell matrix 无锡济民可信山禾药业股份有限公司 2019-12-17 CN claimed
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP claimed
CN-111620808-B 2-aldehyde indole compound and preparation method thereof 安徽师范大学 2023-08-11 CN disclosed
CN-113929618-B Oxo-pyridine amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-08-11 CN disclosed
CN-114057716-B Benzazepinones and salts thereof, preparation method and medical application thereof 承德医学院 2023-06-09 CN disclosed
CN-114728914-B Dioxopiperazine derivative, preparation method thereof and application thereof in medicines 深圳信立泰药业股份有限公司 2023-05-12 CN disclosed
CN-113912586-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-04-07 CN disclosed
CN-111196801-B Aporphine alkaloid derivative and preparation method and application thereof 中国药科大学 2022-10-14 CN disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
CN-114605303-A Synthesis method of delavirdine and intermediate thereof 武汉工程大学 2022-06-10 CN disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
EP-0249885-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1992-01-02 EP disclosed
EP-0234540-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-10-16 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed
US-4803193-A COLORFASTNESS; READABLE BY OPTICAL CHARACTER-READING DEVICES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1989-02-07 US disclosed
US-4794101-A MIXTURE OF PHTHALIDE DYE, FLUORAN COMPOUND AND POLYVALENT METAL SALT OF AN AROMATIC CARBOXYLIC ACID KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-12-27 US disclosed
EP-0273418-A2 Heat-sensitive recording material using chromeno compound KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-07-06 EP disclosed
US-4731353-A METAL SALT OF INDOLE-2-CARBOXYLIC ACID COLOR DEVELOPER KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1988-03-15 US disclosed
EP-0249885-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-12-23 EP disclosed