SCHEMBL112785

SCHEMBL112785

NC(=O)OCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
CYP17A1 P05093 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.40

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
Hydrochloric Acid SCHEMBL7601456 0.98 CYP19A1 (0.49) CYP19A1CYP17A1KMT2AKDM4EPOLB
SCHEMBL30605657 0.85 GAA (0.49) KMT2APOLBMAPTNAMPTLMNA
SCHEMBL30437401 0.84 KMT2A (0.50) KMT2ALMNATDP1CYP1A2CYP2D6
SCHEMBL4244228 0.83 KMT2A (0.53) CYP19A1CYP17A1KMT2AKDM4EPOLB
SCHEMBL4244230 0.81 POLB (0.54) CYP19A1CYP17A1KMT2AKDM4EPOLB
SCHEMBL23049788 0.80 CYP19A1 (0.47) CYP19A1CYP17A1KMT2AKDM4EPOLB
SCHEMBL1318636 0.80 LMNA (0.53) CYP19A1CYP17A1KDM4ELOXL2LMNA
SCHEMBL18603212 0.80 SMN1; SMN2 (0.45) KDM4EMAPTLMNATDP1CYP1A2
SCHEMBL28997377 0.79 POLB (0.53) CYP19A1CYP17A1KMT2AKDM4EPOLB
SCHEMBL5621133 0.79 CYP19A1 (0.50) CYP19A1CYP17A1KMT2AKDM4EPOLB

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 3809 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US claimed
EP-3162438-A1 POLYMER SUPPORTED VICINAL DIAMINES AND THEIR USE AS CATALYST IN THE HAJOS-PARRISH-ENDER-SAUSER-WIECHERT AND ROBINSON ANNULATION REACTIONS Fundació Institut Català d'Investigació Química (ES) 2017-05-03 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
CN-102875549-B 7-virtue (first) amido-5-amido-6-7-azaindole derivatives and preparation and purposes ZHEJIANG UNIVERSITY (CN) 2015-11-04 CN claimed
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US claimed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP claimed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP claimed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP claimed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP claimed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US claimed