SCHEMBL9748422

SCHEMBL9748422

Cc1[c]sc(SCc2cccc(C(=O)O)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
RAB9A P51151 2/20 0.48
ACMSD Q8TDX5 6/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MIF P14174 1/20 0.47
AR P10275 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL9748851 0.84 HPGD (0.55) SMN1; SMN2LMNARAB9ANPC1MEN1
SCHEMBL9749420 0.77 ALDH1A1 (0.64) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL10872912 0.73 NPC1 (0.62) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL21119057 0.70 ACMSD (0.55) SMN1; SMN2HTTLMNACSNK2A2CSNK2B
SCHEMBL30989232 0.70 ACMSD (0.55) SMN1; SMN2HTTLMNACSNK2A2CSNK2B
SCHEMBL6347118 0.70 SMN1; SMN2 (0.60) SMN1; SMN2HTTRAB9AACMSDNPC1
SCHEMBL12581571 0.70 APEX1 (0.65) SMN1; SMN2HTTLMNARAB9AACMSD
SCHEMBL46936 0.70 FOLH1 (0.59) SMN1; SMN2HTTRAB9AARMRGPRX4
SCHEMBL315037 0.70 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNACSNK2A2CSNK2B
SCHEMBL39630 0.70 FOLH1 (0.63) SMN1; SMN2HTTRAB9AKMT2AAR

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
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed