SCHEMBL4016458

SCHEMBL4016458

CCc1sc2nccn2c1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
GRM5 P41594 1/20 0.35
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL15896797 0.81 IDO1 (0.36) IDO1GRM5TLR8
SCHEMBL3459509 0.75 IDO1 (0.51) IDO1GRM5
SCHEMBL4019007 0.72 TNKS2 (0.46) GRM5
SCHEMBL1398812 0.69 MAPT (0.45) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4016456 0.69 IDO1 (0.39) IDO1GRM5
SCHEMBL275781 0.68 GRM5 (0.43) IDO1GRM5KMT2AALDH1A1POLB
SCHEMBL11319174 0.66 MAPT (0.36) KMT2AMEN1NPC1RAB9A
SCHEMBL18400687 0.65 IDO1 (0.44) IDO1TLR8
SCHEMBL275779 0.65 GRM5 (0.43) GRM5KMT2AALDH1A1NPC1RAB9A
SCHEMBL8807969 0.62 IDO1 (0.43) IDO1GRM5KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO claimed
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed