SCHEMBL4599749

SCHEMBL4599749

Clc1cc[c]c(NCCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 1/20 0.43
MGLL Q99685 1/20 0.41
NSD2 O96028 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL4603282 0.83 PKM (0.42) APPMEN1KMT2AMAPTPKM
SCHEMBL4599300 0.81 CCNC (0.45) CCNCCDK8L3MBTL1APPMGLL
SCHEMBL4599961 0.81 L3MBTL1 (0.49) L3MBTL1APPGPR84MEN1KMT2A
SCHEMBL2454621 0.78 L3MBTL1 (0.52) L3MBTL1APPNSD2HSP90AA1G6PD
SCHEMBL4598481 0.76 BCHE (0.52) MEN1KMT2AMAOB
SCHEMBL10671400 0.75 MAPT (0.48) L3MBTL1APPGPR84MEN1KMT2A
SCHEMBL4600195 0.75 POLB (0.56) CCNCCDK8MEN1KMT2AMAPT
SCHEMBL4600236 0.72 EGFR (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3415388 0.71 L3MBTL1 (0.63) CCNCCDK8L3MBTL1MEN1KMT2A
SCHEMBL4611281 0.71 FAAH (0.40) L3MBTL1MAPTALDH1A1CYP3A4LMNA

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed