SCHEMBL9070883

SCHEMBL9070883

CC(C)Oc1cc(C(=O)Nc2nncs2)cc(OC(C)Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.49
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
GCK P35557 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AQP4 P55087 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTT P42858 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
SCHEMBL9070891 1.00 NOX1 (0.49) NOX1LMNARAB9AGCKKDM4E
SCHEMBL2667626 1.00 NOX1 (0.49) NOX1LMNARAB9AGCKKDM4E
SCHEMBL2667616 0.91 GCK (0.51) NOX1LMNARAB9AGCKKDM4E
SCHEMBL9070866 0.89 KDM4E (0.47) NOX1LMNARAB9AGCKKDM4E
SCHEMBL2667716 0.87 KDM4E (0.48) NOX1LMNARAB9AGCKKDM4E
SCHEMBL9070881 0.85 RAB9A (0.51) LMNARAB9AGCKKDM4EAQP4
SCHEMBL9070878 0.85 RAB9A (0.51) LMNARAB9AGCKKDM4EAQP4
SCHEMBL9070877 0.85 RAB9A (0.51) LMNARAB9AGCKKDM4EAQP4
SCHEMBL9070874 0.84 RAB9A (0.59) LMNARAB9AKDM4EAQP4ALDH1A1
SCHEMBL2667628 0.84 NPC1 (0.57) NOX1RAB9AGCKHPGDMAPK1

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