SCHEMBL11062225

SCHEMBL11062225

Cc1cc(C(C)C(=O)NCc2ccccc2)c(O)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MME P08473 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL10947750 0.86 HSP90AA1 (0.44) KMT2AMEN1CYP3A4ALDH1A1HSP90AA1
SCHEMBL10950761 0.82 HSP90AA1 (0.42) KMT2AMEN1TSHRHSP90AA1
SCHEMBL10949391 0.80 PTGS1 (0.43) KMT2AMEN1CYP3A4ALDH1A1KDM4E
Benzamide SCHEMBL10949386 0.79 PTGS1 (0.43) KMT2AMEN1CYP3A4TSHRHSP90AA1
SCHEMBL11041424 0.77 HSP90AA1 (0.40) KMT2AMEN1GAATSHRHSP90AA1
SCHEMBL9444661 0.69 ERCC1 (0.75) ERCC1ERCC4KMT2A
SCHEMBL5804315 0.68 ERCC1 (0.70) ERCC1ERCC4KMT2AMEN1CYP3A4
SCHEMBL28946362 0.68 ERCC1 (0.70) ERCC1ERCC4KMT2AMEN1CYP3A4
SCHEMBL21963902 0.68 TSPO (0.49) KMT2ATSHRRAB9A
SCHEMBL3692414 0.67 ERCC1 (0.63) ERCC1ERCC4KMT2AMEN1ALDH1A1

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
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 — — US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 — — US disclosed
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