SCHEMBL4733402

SCHEMBL4733402

C=CC(=O)Nc1cc(Cl)ccc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
HTT P42858 1/20 0.59
ABL1 P00519 1/20 0.53
KDM4E B2RXH2 3/20 0.50
ATM Q13315 1/20 0.50
GLA P06280 1/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4736951 0.88 ABL1 (0.49) ALDH1A1HPGDHTTABL1KDM4E
SCHEMBL21392831 0.84 KDM4E (0.70) ALDH1A1HPGDKDM4EATMGLA
SCHEMBL5928755 0.81 ABL1 (0.58) ALDH1A1HPGDHTTABL1KDM4E
SCHEMBL28549394 0.79 CFTR (0.56) ALDH1A1HPGDHTTKDM4EATM
SCHEMBL4736645 0.78 HPGD (0.68) ALDH1A1HPGDHTTKDM4EATM
SCHEMBL23044925 0.78 ALDH1A1 (0.46) ALDH1A1HPGDHTTABL1KDM4E
SCHEMBL5875315 0.78 ABL1 (0.62) ALDH1A1HPGDHTTABL1KDM4E
SCHEMBL31162468 0.78 MEN1 (0.61) MEN1KMT2APOLBMAPT
SCHEMBL7467356 0.78 KMT2A (0.56) ALDH1A1HPGDHTTABL1KDM4E
SCHEMBL4070159 0.78 KDM4E (0.71) ALDH1A1HPGDHTTABL1KDM4E

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
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed