SCHEMBL11676495

SCHEMBL11676495

CCN(c1cccc(C(F)(F)F)c1)C(C)OC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ XBP1 P17861 2/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL10409304 0.85 KMT2A (0.50) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11660003 0.84 THRB (0.45) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11677282 0.83 HPGD (0.54) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11678936 0.83 USP2 (0.48) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL11674587 0.82 MTNR1B (0.52) HTTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL11670994 0.81 PPARG (0.42) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL11676807 0.79 MEN1 (0.61) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11676680 0.77 MAPT (0.50) MAPTKMT2AMEN1HTTGAA
SCHEMBL11676497 0.77 MAPT (0.48) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11676725 0.75 KMT2A (0.44) MAPTKMT2AMEN1HTTRAB9A

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-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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