SCHEMBL28045299

SCHEMBL28045299

CCCCCCCCCCCCCCCC(=O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CETP P11597 2/20 0.59
SOAT1 P35610 2/20 0.58
HTT P42858 1/20 0.54
EP300 Q09472 1/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL27498923 0.83 CETP (0.53) MEN1KMT2ACETPSOAT1EP300
SCHEMBL9395051 0.82 CETP (0.77) MEN1KMT2ACETPSOAT1EP300
SCHEMBL5878480 0.82 CETP (0.77) MEN1KMT2ACETPSOAT1EP300
SCHEMBL7814839 0.82 MEN1 (0.68) MEN1KMT2AHTTMAPTLMNA
SCHEMBL28833417 0.81 MEN1 (0.77) MEN1KMT2AMAPTLMNA
SCHEMBL10703263 0.80 CETP (0.73) MEN1KMT2ACETPSOAT1EP300
SCHEMBL78300 0.80 CETP (0.73) MEN1KMT2ACETPSOAT1EP300
SCHEMBL2008072 0.79 MEN1 (1.00) MEN1KMT2AMAPTLMNATDP1
SCHEMBL7824542 0.78 MEN1 (0.72) MEN1KMT2AHTTMAPTLMNA
SCHEMBL15894577 0.78 EP300 (0.62) MEN1KMT2ACETPSOAT1HTT

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
CN-105308030-A Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL MYERS SQUIBB CO 2016-02-03 CN disclosed