SCHEMBL8715277

SCHEMBL8715277

COCOc1cc(Cl)c(Br)cc1C(=O)c1ncccc1OCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.38
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
PPP1CA P62136 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL8713191 0.86 MAPK8 (0.39) CLCN2MEN1KMT2ARAB9ALMNA
SCHEMBL8709579 0.86 KDM4E (0.38) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL8712836 0.84 MAPK8 (0.37) CLCN2MEN1KMT2ARAB9ALMNA
SCHEMBL8710246 0.83 XDH (0.40) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL8709273 0.83 XDH (0.40) CLCN2MEN1KMT2ARAB9ALMNA
SCHEMBL8712687 0.83 POLB (0.38) CLCN2MEN1KMT2ARAB9APOLB
SCHEMBL8709054 0.82 CYP3A4 (0.47) KDM4EALDH1A1MAPT
SCHEMBL8713114 0.82 CLCN2 (0.39) CLCN2POLBKDM4EALDH1A1
SCHEMBL8710521 0.82 CNR2 (0.36) CLCN2MEN1KMT2ARAB9ALMNA
SCHEMBL8709890 0.81 RAB9A (0.37) RAB9AKDM4EALDH1A1MAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed