SCHEMBL8943316

SCHEMBL8943316

C=CC(=O)NCC(S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.44
CYP2C19 P33261 2/20 0.41
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSTO1 P78417 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL28717475 0.84 TGM2 (0.48) TGM2CYP2C19BCAT2ALDH1A1CYP3A4
SCHEMBL17183746 0.80 NPC1 (0.54) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL17183649 0.78 MTNR1A (0.48) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL19368239 0.78 KCNA3 (0.53) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL18204441 0.77 MTNR1A (0.58) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL5665809 0.76 TGM2 (0.41) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL11409660 0.76 SRC (0.45) TGM2CYP2C19BCAT2ALDH1A1CYP3A4
SCHEMBL9836276 0.75 TGM2 (0.40) TGM2CYP2C19BCAT2ALDH1A1CYP3A4
SCHEMBL11200675 0.75 ALDH1A1 (0.47) BCAT2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9318768 0.73 CYP2C19 (0.58) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9

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-5518877-A POLYPEPTIDE-ADDITION POLYMER AGFA-GEVAERT AG (DE) 1996-05-21 US disclosed