SCHEMBL11609705

SCHEMBL11609705

Cc1cc(CSC(=S)NCCc2ccccc2)cc(C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 6/20 0.47
ALOX12 P18054 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL28355289 0.84 IDO1 (0.67) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11607091 0.83 IDO1 (0.52) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6323640 0.73 IDO1 (0.53) IDO1NPC1RAB9ASMN1; SMN2ALOX12
SCHEMBL11609702 0.73 IDO1 (0.46) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2794397 0.73 IDO1 (1.00) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13554435 0.72 PTGS1 (0.66) NPC1ALDH1A1HPGDCA1CA2
SCHEMBL10936011 0.71 IDO1 (0.55) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11609701 0.71 MGLL (0.56) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL6319495 0.71 IDO1 (0.51) IDO1SMN1; SMN2ALDH1A1ALOX12LMNA
SCHEMBL11608898 0.70 TEAD4 (0.50) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1

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-4076814-A DITHIOCARBAMIC ACID DERIVATIVES SANKYO COMPANY LIMITED (JA) 1978-02-28 US disclosed