SCHEMBL7570768

SCHEMBL7570768

Cc1cccc(C#Cc2ccc3nccnc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
KMT2A Q03164 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRM1 Q13255 1/20 0.57

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
SCHEMBL22956120 0.81 GRM5 (0.50) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6793023 0.81 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22955818 0.77 TGFBR1 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23389782 0.76 GRM5 (0.51) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29796516 0.76 GRM5 (0.51) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6791706 0.76 GRM5 (0.51) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5919617 0.76 GRM5 (0.66) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713737 0.76 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24494372 0.75 GRM5 (0.76) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712504 0.75 GRM5 (0.65) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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-2002055077-A1 USE OF IMIDAZOLYL CYCLIC ACETAL DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DISEASES MEDIATED BY THE ALK5 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 WO disclosed