SCHEMBL9070869

SCHEMBL9070869

COc1cc(C(=O)Nc2nncs2)cc(OCCCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOX1 Q9Y5S8 2/20 0.42
AQP4 P55087 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 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
SCHEMBL9070826 0.88 POLB (0.45) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL9070885 0.86 ALDH1A1 (0.47) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL9070900 0.85 RAB9A (0.55) RAB9AKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL9070886 0.85 RAB9A (0.46) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL9070870 0.85 RAB9A (0.53) RAB9AHSD17B10L3MBTL1NPC1SMN1; SMN2
SCHEMBL2667642 0.84 KDM4E (0.48) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL2667716 0.84 KDM4E (0.48) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL9070914 0.84 RAB9A (0.56) RAB9AALDH1A1NPC1SMN1; SMN2HPGD
SCHEMBL2667945 0.83 RAB9A (0.51) RAB9AKDM4EPOLBCYP1A2CYP3A4
SCHEMBL9070897 0.81 SCD (0.56) RAB9AKDM4EL3MBTL1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed