SCHEMBL7568596

SCHEMBL7568596

Cc1cc(N)cc(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
THRB P10828 4/20 0.40
THRA P10827 3/20 0.39
HKDC1 Q2TB90 1/20 0.39
HTR6 P50406 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4961754 0.88 GAA (0.41) GAAPOLBGFERL3MBTL1MEN1
SCHEMBL7574842 0.83 GAA (0.46) GAAPOLBGFERL3MBTL1MEN1
SCHEMBL7512413 0.82 THRA (0.61) GAAPOLBGFERL3MBTL1ALDH1A1
SCHEMBL6861848 0.81 THRB (0.42) GAAPOLBALDH1A1PKMTHRB
SCHEMBL7572533 0.79 GAA (0.48) GAAPOLBGFERL3MBTL1MEN1
SCHEMBL7592718 0.78 SOS1 (0.47) GAAPOLBGFERL3MBTL1MEN1
SCHEMBL3004495 0.76 HTT (0.49) GAAPOLBL3MBTL1MEN1KMT2A
SCHEMBL6861552 0.75 THRB (0.40) GAAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7042666 0.75 THRB (0.55) THRBTHRA
SCHEMBL6741329 0.75 THRB (0.38) THRBTHRA

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
WO-2002090344-A1 AMIDO-DIPHENYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed