SCHEMBL13439585

SCHEMBL13439585

CC(=O)N(N=C(C)C)c1ccc2[nH]c(=O)cc(CF)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL12598566 0.81 AR (0.63) AR
SCHEMBL13439584 0.68 AR (0.58) ARHPGD
SCHEMBL13439586 0.65 AR (0.44) ARKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1771212 0.64 AR (1.00) AR
SCHEMBL3989160 0.63 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL1772814 0.61 AR (0.70) AR
SCHEMBL1771660 0.61 AR (0.71) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL2272356 0.59 AR (0.62) ARALDH1A1KDM4EHPGDUSP2
SCHEMBL21525863 0.58 AR (0.47) ARALDH1A1HPGDTSHR
SCHEMBL28219703 0.58 ALDH1A1 (0.50) ARKMT2AMEN1ALDH1A1KDM4E

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-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 — — US disclosed
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