SCHEMBL2016191

SCHEMBL2016191

O=CCc1nc(Cl)c(O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.39
FTO Q9C0B1 4/20 0.39
BBOX1 O75936 3/20 0.39
PADI4 Q9UM07 1/20 0.38
ERN1 O75460 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2015311 0.87 EGLN1 (0.46) EGLN1FTOBBOX1PADI4ERN1
SCHEMBL20777914 0.68 EGLN1 (0.46) EGLN1FTOBBOX1KDM4EALDH1A1
SCHEMBL14842361 0.68 TDP1 (0.52) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL2014951 0.68 MEN1 (0.49) PADI4KMT2AKDM4EMEN1ALDH1A1
SCHEMBL29008365 0.66 PADI4 (0.44) PADI4ERN1KMT2AKDM4EMEN1
SCHEMBL23886136 0.65 PLAU (0.47) KMT2AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL13728550 0.63 EGLN1 (0.42) EGLN1FTOBBOX1KMT2AKDM4E
SCHEMBL2012510 0.63 PTPN22 (0.48)
SCHEMBL15563355 0.61 ERN1 (0.60) ERN1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL30917992 0.61 ALDH1A1 (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed