SCHEMBL8662204

SCHEMBL8662204

O=C1SC(OCCc2nc(-c3ccccc3)oc2CBr)C(=O)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 16/20 0.36
PPARA Q07869 14/20 0.36
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 4/20 0.34
KCNH2 Q12809 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8440670 0.87 PPARG (0.46) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL8662208 0.80 ALDH1A1 (0.37) ALDH1A1TSHRPPARGPPARACYP3A4
SCHEMBL8662202 0.76 PPARG (0.38) ALDH1A1TSHRPPARGPPARACYP3A4
SCHEMBL8472017 0.71 POLB (0.45) POLBALDH1A1TSHRMAPTTHRB
SCHEMBL8471742 0.71 MAPT (0.41) POLBALDH1A1KCNH2MAPTTHRB
SCHEMBL8523889 0.70 POLB (0.47) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL3774754 0.69 MAPT (0.50) POLBALDH1A1MAPTTHRB
SCHEMBL8500896 0.69 KDM4E (0.46) POLBPPARGPPARACYP3A4CYP2C9
SCHEMBL6032173 0.68 MAPT (0.54) POLBALDH1A1MAPTTHRB
SCHEMBL8659796 0.68 MAPT (0.43) POLBALDH1A1TSHRPPARGCYP2C9

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-5824694-A Thiazolidine derivatives for the treatment of psoriasis BETHESDA PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed