SCHEMBL11097371

SCHEMBL11097371

COc1ccc(Cc2cc(=S)[nH]c(=O)[nH]2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.53
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ MPI P34949 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL2095593 0.72 CA2 (1.00) CA2POLBALDH1A1GAAUSP2
SCHEMBL10567559 0.72 KDM4E (0.54) ALDH1A1GAAMPIAPOBEC3GKMT2A
SCHEMBL7378242 0.71 CA2 (0.61) CA2POLBALDH1A1GAAMPI
SCHEMBL11448749 0.69 CA2 (0.50) CA2POLBALDH1A1GAAMPI
SCHEMBL9660225 0.69 MEN1 (0.69) CA2POLBALDH1A1GAAMPI
SCHEMBL8941120 0.69 CA2 (0.53) CA2
SCHEMBL28164756 0.69 CA2 (0.91) CA2POLBALDH1A1GAAUSP2
SCHEMBL29449205 0.69 CA2 (0.91) CA2POLBALDH1A1GAAUSP2
SCHEMBL30018700 0.67 SIRT2 (0.75) CA2ALDH1A1DAOCYP3A4KMT2A
SCHEMBL1486318 0.65 CA2 (0.68) CA2POLBALDH1A1GAACYP3A4

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-0123402-A2 Pyrimidine derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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