SCHEMBL6430138

SCHEMBL6430138

[CH2]c1ccc(NC(=O)/C=C/c2cnn(C)c2-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.44
NPC1 O15118 11/20 0.44
SMN1; SMN2 Q16637 10/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 3/20 0.44
HCRTR1 O43613 1/20 0.44
MAPT P10636 9/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPK1 P28482 3/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4829105 0.84 KDM4E (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4829121 0.84 KDM4E (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4554192 0.83 MAPT (0.41) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4554191 0.82 MAPT (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3486759 0.82 MAPT (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3486750 0.82 MAPT (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4554193 0.82 MAPT (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL964306 0.81 MAPT (0.39) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL964305 0.80 HDAC1 (0.45) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4825696 0.79 KDM4E (0.53) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP claimed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO claimed