SCHEMBL935958

SCHEMBL935958

O=CC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
ACP3 P15309 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
SMYD3 Q9H7B4 1/20 0.49
EPHX1 P07099 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HTT P42858 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4941532 0.85 MEN1 (0.55) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL6865758 0.82 MEN1 (0.62) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL21294760 0.82 ACP3 (0.51) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL29935522 0.81 MEN1 (0.65) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL11808569 0.81 MEN1 (0.60) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL378581 0.81 MEN1 (0.65) MEN1KMT2AMAPTACP3HDAC1
Hydrochloric Acid SCHEMBL2525493 0.79 MEN1 (0.63) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL265041 0.79 MEN1 (0.59) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL6710664 0.79 MEN1 (0.59) MEN1KMT2AMAPTACP3HDAC1
SCHEMBL30496803 0.79 EPHX1 (0.59) MEN1KMT2AMAPTACP3SMYD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454239-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-05-23 EP disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO disclosed
EP-1926722-A1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS Novartis AG (CH) 2008-06-04 EP disclosed
WO-2007030377-A1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-03-15 WO disclosed