SCHEMBL7053935

SCHEMBL7053935

OCCCCNc1ncccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SYK P43405 1/20 0.43
FLT3 P36888 3/20 0.43
TYRO3 Q06418 3/20 0.43
MERTK Q12866 3/20 0.43
GAS6 Q14393 3/20 0.43
AXL P30530 2/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PDE5A O76074 1/20 0.41
CASP6 P55212 1/20 0.41
HIF1A Q16665 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7052357 0.95 ALDH1A1 (0.44) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL31420488 0.81 KDM4E (0.46) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL26686723 0.81 KDM4E (0.46) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL14497424 0.79 IDO1 (0.40) KDM4EMAPTKMT2ALMNAALDH1A1
SCHEMBL1978099 0.77 HIF1A (0.44) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL23107659 0.74 ALDH1A1 (0.62) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL9639509 0.72 GRM5 (0.49) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL6302675 0.71 CYP1A2 (0.56) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL11788598 0.71 KDM4E (0.59) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL7609372 0.70 DRD2 (0.53) KDM4EMAPTKMT2ALMNAHTT

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
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed