SCHEMBL6960682

SCHEMBL6960682

CNC(=S)Nc1c[c]ccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 9/20 0.47
HPGD P15428 1/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
TAS2R38 P59533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.39
NOX1 Q9Y5S8 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 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
SCHEMBL6973539 0.81 TAS2R38 (0.57) MAPTSMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL6965156 0.81 MAPT (0.48) MAPTSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL746119 0.78 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL7102655 0.76 MAOB (0.53) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL23812525 0.76 GAA (0.84) MAPTSMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL1276402 0.76 GAA (0.84) MAPTSMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL14360821 0.74 ALDH1A1 (0.70) MAPTSMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL60383 0.73
SCHEMBL50031 0.73 HSD17B10 (0.57) MAPTSMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL10658809 0.73 EPHX1 (0.71) SMN1; SMN2ALDH1A1HPGDRAB9AKMT2A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed