SCHEMBL2014951

SCHEMBL2014951

O=CCc1cc(Cl)c2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
PADI4 Q9UM07 1/20 0.39
SLC2A1 P11166 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK1 P06493 1/20 0.37
HMGB1 P09429 1/20 0.37
CXCL12 P48061 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
SCHEMBL3291895 0.83 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2014459 0.79 CDK1 (0.62) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13859311 0.74 CYP1A2 (0.52) KMT2AALDH1A1HPGDHTTATM
SCHEMBL16671974 0.73 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7918991 0.73 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9153917 0.72 MAPT (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2012510 0.71 PTPN22 (0.48)
SCHEMBL553501 0.71 ALDH1A1 (0.59) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4619587 0.71 HSD17B10 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2318046 0.71 HSP90AA1 (0.49) MEN1KMT2AALDH1A1HSP90AA1TDP1

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