SCHEMBL11609702

SCHEMBL11609702

Cc1cc(COC(=S)NCCc2ccccc2)cc(C)c1O.NC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
ALOX12 P18054 4/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BCL2 P10415 1/20 0.41

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
SCHEMBL11607088 0.84 LMNA (0.46) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11611501 0.81 SIRT2 (0.38)
SCHEMBL28355291 0.76 RAB9A (0.54) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11608083 0.73 BCL2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11609705 0.73 IDO1 (0.56) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11608894 0.72 TEAD4 (0.47) ALDH1A1L3MBTL1TDP1
SCHEMBL9153056 0.72 GAA (0.50) IDO1SMN1; SMN2ALDH1A1LMNAALOX12
SCHEMBL11606195 0.72 ALDH1A1 (0.47) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
Ethane SCHEMBL8639005 0.71 HTT (0.52) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL11606953 0.70 PTGS1 (0.33) ALDH1A1LMNAGAAMAPTCA1

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