SCHEMBL13439586

SCHEMBL13439586

NNc1ccc2[nH]c(=O)cc(CF)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.44
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL13439584 0.80 AR (0.58) ARLMNAHPGD
SCHEMBL4148535 0.76 AR (0.48) ARMEN1KMT2ALMNAKDM4E
SCHEMBL1771947 0.76 AR (0.68) AR
SCHEMBL12649315 0.70 AR (0.58) ARMEN1KMT2AGAAHPGD
SCHEMBL13439804 0.67 AR (0.70) ARMEN1KMT2AGAA
SCHEMBL13439631 0.67 AR (0.56) ARMEN1KMT2AGAA
SCHEMBL13439806 0.65 AR (0.69) ARMEN1KMT2AGAA
SCHEMBL11857777 0.65 KIF11 (0.51) ARLMNA
SCHEMBL1770840 0.65 AR (0.55) ARGAALMNAHPGDALDH1A1
SCHEMBL13439585 0.65 AR (0.47) ARMEN1KMT2AHPGDALDH1A1

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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