SCHEMBL8709727

SCHEMBL8709727

CC(=O)Nc1ccc(O)c(C(=O)c2ncccc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
GRM4 Q14833 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
AMY1A P0DUB6 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8709808 0.79 CSNK2A1 (0.50) SMN1; SMN2ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL8712176 0.77 GSTA1 (0.63) ALDH1A1HPGDCYP1A2KDM4EMEN1
SCHEMBL8711999 0.75 TRPA1 (0.42) GRM4HPGDCYP1A2KDM4ENPC1
SCHEMBL8709049 0.75 MAPT (0.53) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8654976 0.75 FTO (0.45) KDM4DKDM4CKDM3AALDH1A1KDM4E
SCHEMBL30621955 0.74 SMN1; SMN2 (0.57) KDM4CSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL925741 0.74 SMN1; SMN2 (0.57) KDM4CSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL8709073 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8714018 0.73 KDM4E (0.43) ALDH1A1HPGDCYP1A2KDM4EMEN1
SCHEMBL170522 0.73 KDM4C (0.62) KDM5AKDM4DKDM4CKDM5BKDM3A

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