SCHEMBL8687062

SCHEMBL8687062

O=C1SC(CCc2cccs2)C(=O)N1Cc1cccc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL8686947 0.80 MAPT (0.37) DAOMAPTGAAOPRM1OPRK1
SCHEMBL8692541 0.70 C5AR1 (0.41) DAOMAPTOPRM1OPRK1OPRL1
SCHEMBL8686712 0.64 TACR1 (0.40) DAOMAPTOPRM1OPRK1OPRL1
SCHEMBL8686390 0.63 AKR1B1 (0.41) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8687818 0.59 MAPT (0.44) DAOMAPTNPSR1
SCHEMBL25212919 0.59 HPGD (0.56) RAB9AROCK2ROCK1
SCHEMBL27694476 0.59 DAO (0.48) DAOMAPTGAAMEN1KMT2A
SCHEMBL2330607 0.59 OPRM1 (0.44) DAOMAPTGAAOPRM1OPRK1
SCHEMBL10502443 0.58 DAO (0.44) DAOMAPTGAAOPRM1OPRK1
SCHEMBL2633083 0.58 DAO (0.50) DAOMAPTOPRM1OPRK1OPRL1

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-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 — — US disclosed
Send feedback