SCHEMBL9728606

SCHEMBL9728606

CCCc1c(OC)ccc(C(=O)NCc2cccs2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK10 P53779 1/20 0.51
GAA P10253 2/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL4521778 0.78 GAA (0.64) HPGDHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10445383 0.76 ALDH1A1 (0.45) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9728468 0.75 PPARG (0.48) CYP1A2CYP2C9MAPT
SCHEMBL10378288 0.73 PPARG (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9728623 0.73 MAPT (0.58) CYP1A2CYP2C9MAPT
SCHEMBL5338385 0.70 HPGD (0.67) HPGDHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11296924 0.70 HPGD (0.55) HPGDHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10560020 0.69 ALOX15 (0.50) HPGDHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5350551 0.69 RAB9A (0.76) HPGDALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL33527951 0.68 POLB (0.64) HPGDHSD17B10ALDH1A1RAB9ASMN1; SMN2

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
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed