SCHEMBL14740817

SCHEMBL14740817

O=C(O)Nc1ccc(Cl)cc1NC(=O)CC(=O)c1ccnnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL14740818 0.85 STING1 (0.42) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL14740816 0.85 HCAR2 (0.40) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL14740804 0.83 MEN1 (0.40) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL27615911 0.75 WNT3A (0.44) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27597149 0.75 SERPINE1 (0.43) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27615863 0.74 RAB9A (0.46) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27597136 0.73 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL17336575 0.72 RAB9A (0.43) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL14740844 0.71 MEN1 (0.43) POLBKMT2AMEN1NPC1MAPT
SCHEMBL7462333 0.71 ERCC5 (0.49) POLBKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO disclosed