SCHEMBL13439803

SCHEMBL13439803

CN(C(=O)C(C)(C)Nc1ccc2c(CF)cc(=O)[nH]c2c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AR P10275 4/20 0.41
▸ MITF O75030 1/20 0.41
▸ USP2 O75604 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ IMPDH2 P12268 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL1772262 0.85 AR (0.57) AR
SCHEMBL12649214 0.82 AR (0.43) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL13439804 0.75 AR (0.70) KMT2AMEN1AR
SCHEMBL13439631 0.75 AR (0.56) KMT2AMEN1AR
SCHEMBL13439806 0.73 AR (0.69) KMT2AMEN1AR
SCHEMBL12649316 0.72 AR (0.51) KMT2AMEN1ARSMN1; SMN2
SCHEMBL11254993 0.71 HTT (0.44) KMT2AMEN1KDM4ENPSR1MAPT
SCHEMBL1770652 0.67 AR (0.60) AR
SCHEMBL27518942 0.66 AR (0.59) AR
SCHEMBL28219703 0.64 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E

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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