SCHEMBL6686475

SCHEMBL6686475

O=C1CCCc2c(F)ccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.42
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRDT Q58F21 2/20 0.37
BRD9 Q9H8M2 2/20 0.37
BRD7 Q9NPI1 2/20 0.37
CREBBP Q92793 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
OPRM1 P35372 1/20 0.35
SRC P12931 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL14430376 0.89 PTGS1 (0.37) BRD4KDM4EGAABRDTBRD9
SCHEMBL24542960 0.85 BRD4 (0.42) BRD4KDM4ELMNAGAADYRK1A
SCHEMBL1477849 0.84 ALDH1A1 (0.41) BRD4KDM4ELMNAGAAALDH1A1
SCHEMBL29525031 0.84 ALDH1A1 (0.41) BRD4KDM4ELMNAGAAALDH1A1
SCHEMBL8237233 0.80 ALDH1A1 (0.41) BRD4BRDTBRD9BRD7CREBBP
SCHEMBL2370165 0.78 KDM4E (0.45) BRD4KDM4ELMNAGAADYRK1A
SCHEMBL19584901 0.78 KDM4E (0.38) BRD4KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL31104321 0.78 BRD4 (0.40) BRD4KDM4ELMNAGAADYRK1A
SCHEMBL23027524 0.78 BRD4 (0.40) BRD4CREBBPALDH1A1SMN1; SMN2MAPT
SCHEMBL7103532 0.78 BRD4 (0.43) BRD4KDM4ELMNAGAADYRK1A

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-2004071389-A2 NON-STEROIDAL INFALMMATION INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed