SCHEMBL11619956

SCHEMBL11619956

O=C1c2ccccc2C(=O)N1CSc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
CASP3 P42574 2/20 0.68
NPC1 O15118 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPK1 P28482 1/20 0.61
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.50
PLIN1 O60240 1/20 0.47

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
SCHEMBL29579 0.85 MAPK1 (0.54) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL8614970 0.85 MAPK1 (0.63) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL8616357 0.81 MAPK1 (0.58) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL10421957 0.81 RAB9A (1.00) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL19514700 0.79 MAPK1 (0.58) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL10458108 0.78 CYP1A2 (1.00) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL17266522 0.77 CYP1A2 (0.90) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL14031524 0.76 FFAR1 (0.45) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL5053818 0.76 FFAR1 (0.45) RAB9ACASP3NPC1SMN1; SMN2SENP8
SCHEMBL9084215 0.75 CYP1A2 (0.88) RAB9ACASP3NPC1SMN1; SMN2SENP8

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
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 US claimed