SCHEMBL9748851

SCHEMBL9748851

Cc1[c]sc(SCc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
LMNA P02545 2/20 0.55
FFAR1 O14842 1/20 0.52
KMT2A Q03164 3/20 0.46
GFER P55789 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
VCP P55072 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL10872912 0.85 NPC1 (0.62) HPGDLMNAFFAR1KMT2AMEN1
SCHEMBL9748422 0.84 SMN1; SMN2 (0.60) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL9749420 0.76 ALDH1A1 (0.64) HPGDLMNAFFAR1KMT2AMEN1
SCHEMBL11181823 0.74 LMNA (0.74) HPGDLMNAFFAR1KMT2AMEN1
SCHEMBL10690460 0.72 LMNA (0.54) HPGDLMNAFFAR1KMT2AGFER
SCHEMBL11299725 0.71 HPGD (0.64) HPGDLMNAFFAR1KMT2AGFER
SCHEMBL11188489 0.71 HPGD (0.60) HPGDLMNAFFAR1KMT2AGFER
SCHEMBL2733568 0.70 MAPT (0.61) HPGDLMNAKMT2AGFERMEN1
SCHEMBL9748936 0.70 APEX1 (0.51) HPGDKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL9479429 0.69 LMNA (0.74) HPGDLMNAFFAR1KMT2AMEN1

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 2 patents. 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
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed