SCHEMBL9422145

SCHEMBL9422145

CCCCCC[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
BCHE P06276 1/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC4 Q9UBN4 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TXN P10599 1/20 0.39

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
SCHEMBL7288257 0.86 DDAH1 (0.41) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL7351165 0.86 EPHX2 (0.46) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL7354306 0.84 EPHX2 (0.47) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL7289458 0.84 DDAH1 (0.41) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL9560922 0.82 DDAH1 (0.51) DDAH1NPC1RAB9ABCHETRPC3
SCHEMBL7288161 0.79 EPHX2 (0.46) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL7288152 0.79 NPC1 (0.43) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL9439979 0.79 DDAH1 (0.43) DDAH1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10867335 0.78 ACHE (0.50) DDAH1NPC1RAB9ABCHEALDH1A1
SCHEMBL9509188 0.77 RAB9A (0.54) NPC1RAB9AALDH1A1SMN1; SMN2DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330982-A Promote gastric emptying GLAXO GROUP LIMITED (GB) 1994-07-19 US disclosed
EP-0272876-B1 USE OF HETEROCYCLIC DERIVATIVES FOR THE MANUFACTURE OF MEDICAMENTS GLAXO GROUP LIMITED (GB) 1993-10-13 EP disclosed
EP-0272876-A2 Use of heterocyclic derivatives for the manufacture of medicaments GLAXO GROUP LIMITED (GB) 1988-06-29 EP disclosed