SCHEMBL18007259

SCHEMBL18007259

N#Cc1ccccc1-c1cc(-c2ncccc2-c2ccccc2)c[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
GRIA1 P42261 1/20 0.44
GRIA3 P42263 1/20 0.44
PDE4D Q08499 1/20 0.44
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
LRRK2 Q5S007 3/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ATM Q13315 1/20 0.39
HTT P42858 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
SCHEMBL6695727 0.83 MCL1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL687843 0.81 GRIA1 (0.58) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL15758398 0.81 GRIA1 (0.57) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL15758399 0.78 MCL1 (0.41) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL18007256 0.76 PTGS2 (0.38) ALDH1A1HPGDMAPTKMT2APTGS1
SCHEMBL19411747 0.75 MDM2 (0.49) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL3667255 0.75 PIM1 (0.41) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL6693260 0.73 MCL1 (0.42) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL6698453 0.72 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL1882884 0.72 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1

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-3259262-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL Mapi Pharma Limited (IL) 2017-12-27 EP disclosed
WO-2016132343-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL MAPI PHARMA LTD. (IL) 2016-08-25 WO disclosed