SCHEMBL790396

SCHEMBL790396

CC1CCN(C(=O)c2csc(Nc3cccc(Cl)c3)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 11/20 0.77
TRPC6 Q9Y210 11/20 0.77
KDM1A O60341 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
TRPA1 O75762 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL789091 0.86 TRPC3 (0.78) TRPC3TRPC6SMN1; SMN2NPC1RAB9A
SCHEMBL789564 0.81 TRPC3 (1.00) TRPC3TRPC6L3MBTL1TSHRGAA
SCHEMBL789898 0.77 TRPC3 (0.75) TRPC3TRPC6SMN1; SMN2NPC1ALDH1A1
SCHEMBL29654005 0.77 KDM1A (0.78) KDM1ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL28707161 0.77 KDM1A (0.78) KDM1ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2870272 0.77 KDM1A (0.78) KDM1ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL10087864 0.75 TRPC3 (0.81) TRPC3TRPC6SMN1; SMN2NPC1ALDH1A1
SCHEMBL806598 0.75 TRPC3 (0.74) TRPC3TRPC6KDM1ASMN1; SMN2NPC1
SCHEMBL2880884 0.73 KDM1A (0.72) KDM1ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL14393743 0.72 LMNA (0.81) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A

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-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO claimed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed