SCHEMBL8801699

SCHEMBL8801699

COc1ccc(C(=O)C(N)C(Cc2ccccc2)c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
LDHA P00338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
Hydrochloric Acid SCHEMBL8800525 0.99 PPARG (0.43) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL8800802 0.90 PPARG (0.45) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL9570422 0.84 POLB (0.42) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL8800969 0.83 PPARG (0.41) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL8800504 0.82 PPARG (0.43) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL8801705 0.77 PPARG (0.40) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL10829590 0.75 PPARG (0.57) PPARGPPARANPC1RAB9AMEN1
SCHEMBL1303238 0.73 ALDH1A1 (0.56) PPARGPPARANPC1RAB9AMEN1
SCHEMBL5217789 0.73 MDM2 (0.69) PPARGPPARANPC1RAB9AMEN1
SCHEMBL6177780 0.73 LDHA (0.56) PPARGPPARANPC1RAB9AL3MBTL1

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-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed