SCHEMBL10734186

SCHEMBL10734186

CC(=O)Nc1ccc(Br)c2c1C(=O)c1c(Br)ccc(NC(C)=O)c1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.54
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ MAOA P21397 1/20 0.47
▸ CASP3 P42574 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCNE2 O96020 5/20 0.41
▸ CCNE1 P24864 5/20 0.41
▸ CDK2 P24941 5/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX1 P07099 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
SCHEMBL8604260 0.89 MAOA (0.65) RXFP1CA1CA2CA9MAOA
SCHEMBL8606780 0.83 MAOA (0.55) RXFP1CA1CA2CA9MAOA
SCHEMBL11423840 0.81 ALDH1A1 (0.58) RXFP1CA1CA2CA9MAOA
SCHEMBL8603596 0.79 S100A4 (0.50) RXFP1CA1CA2CA9MAOA
SCHEMBL10488070 0.78 MAOA (0.63) MAOACASP3ALDH1A1HPGDKDM4E
SCHEMBL11318323 0.76 MAPT (0.41) RXFP1ALDH1A1POLBMAPTRAB9A
SCHEMBL11320352 0.76 MAPT (0.41) RXFP1ALDH1A1POLBMAPTRAB9A
SCHEMBL11847585 0.76 MEN1 (0.58) CA2CA9CASP3ALDH1A1HPGD
SCHEMBL6370986 0.76 MAOA (0.77) RXFP1MAOACASP3ALDH1A1HPGD
SCHEMBL1601224 0.73 RXFP1 (0.58) RXFP1CA1CA2CA9ALDH1A1

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-4657707-A REACTING A HALOGENATED ANTHRAQUINONE, NAPHTHOQUINONE OR PHENOL WITH CONCENTRATED SULFURIC ACID AND AN ALDEHYDE CIBA-GEIGY CORPORATION (US) 1987-04-14 — — US disclosed
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