SCHEMBL11742546

SCHEMBL11742546

Nc1cc(Cl)c(S(=O)(=O)O)cc1Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 2/20 0.48
▸ CYP3A4 P08684 1/20 0.43
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PNLIP P16233 1/20 0.37

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
SCHEMBL11742164 0.88 CYP1A2 (0.50) CYP2C9MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL8747839 0.80 ICAM1 (0.41) ALDH1A1CA2
SCHEMBL11659131 0.78 KMT2A (0.49) CYP2C9MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL9232355 0.76 GAA (0.56) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL29516458 0.71 GAA (0.52) CYP2C9CYP2C19ALDH1A1HPGDCYP3A4
SCHEMBL9327065 0.71 CA1 (0.61) CYP2C9CYP2C19ALDH1A1HPGDCYP3A4
SCHEMBL1708535 0.71 GAA (0.52) CYP2C9CYP2C19ALDH1A1HPGDCYP3A4
SCHEMBL8355710 0.71 MAPT (0.51) CYP2C9MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL11690240 0.71 KMT2A (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1KDM4E
SCHEMBL11553287 0.70 P2RX4 (0.43) SMN1; SMN2HTTCA1CA2CA9

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-4048154-A POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 — — US disclosed
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