SCHEMBL5816136

SCHEMBL5816136

Cc1ccc(C(=O)c2ccn3cncc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
SRD5A2 P31213 1/20 0.38
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5820869 0.86 LTA4H (0.42) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL5820637 0.85 CNR2 (0.44) ALDH1A1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL5820796 0.85 CYP19A1 (0.44) ALDH1A1LMNARAB9AHTTMAPT
SCHEMBL22835342 0.77 PTGS1 (0.45) ALDH1A1LMNARAB9AKDM4ENPC1
SCHEMBL4220112 0.71 RAB9A (0.49) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL4225362 0.70 RAB9A (0.67) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL15296575 0.69 IDO1 (0.39) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2086752 0.67 HRH4 (0.54) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL15202096 0.66 ALDH1A1 (0.50) ALDH1A1LMNARAB9AHTTSMN1; SMN2
SCHEMBL21025471 0.65 IDO1 (0.36) KDM4E

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-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO disclosed