SCHEMBL4253069

SCHEMBL4253069

CN(C)c1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.55
CYP11B1 P15538 5/20 0.55
HTR2C P28335 2/20 0.47
PARP1 P09874 1/20 0.46
CBLB Q13191 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PKM P14618 3/20 0.44
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAD51 Q06609 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4250602 0.89 HTR2C (0.47) CYP11B2CYP11B1HTR2CPARP1CBLB
SCHEMBL4255757 0.86 PARP1 (0.49) CYP11B2CYP11B1PARP1NPC1RAB9A
SCHEMBL4250783 0.84 NPC1 (0.56) CYP11B2CYP11B1HTR2CPARP1NPC1
SCHEMBL4251115 0.83 PARP1 (0.46) CYP11B2CYP11B1PARP1NPC1RAB9A
SCHEMBL4258064 0.83 PARP1 (0.46) CYP11B2CYP11B1PARP1NPC1RAB9A
SCHEMBL10086409 0.82 CYP11B2 (0.56) CYP11B2CYP11B1HTR2CCBLBNPC1
SCHEMBL1467522 0.81 NPC1 (0.47) CYP11B2CYP11B1PARP1CBLBNPC1
SCHEMBL4254589 0.81 NPC1 (0.59) HTR2CPARP1NPC1RAB9APKM
SCHEMBL4258304 0.80 NPC1 (0.69) CYP11B2HTR2CPARP1NPC1RAB9A
SCHEMBL4253666 0.79 HTR2C (0.58) CYP11B2CYP11B1HTR2CCBLBNPC1

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
WO-2009054653-A2 ISOINDOLONES WITH HIGH BINDING AFFINITY TO BETA-AMYLOID AGGREGATES AND FIBRILS, AND ITS USE AND PREPARATION METHOD KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-30 WO claimed
WO-2009054653-A2 ISOINDOLONES WITH HIGH BINDING AFFINITY TO BETA-AMYLOID AGGREGATES AND FIBRILS, AND ITS USE AND PREPARATION METHOD KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-30 WO disclosed