SCHEMBL4723487

SCHEMBL4723487

COc1cc(OC)cc(-c2nc(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)nc3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
SOS1 Q07889 2/20 0.36
ABL1 P00519 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
S1PR1 P21453 1/20 0.34
C5AR1 P21730 1/20 0.34
PDE7A Q13946 1/20 0.34
NTSR1 P30989 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL14101836 0.88 SMN1; SMN2 (0.39) S1PR1LMNAHTTRECQLSMN1; SMN2
SCHEMBL4721485 0.88 ACACB (0.38) S1PR1C5AR1LMNASMN1; SMN2MAPT
SCHEMBL4721675 0.87 CDK1 (0.38) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4721666 0.87 CDK1 (0.38) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4720467 0.85 CDK1 (0.37) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4720460 0.85 CDK1 (0.37) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4719061 0.80 ITGB2 (0.35) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4719067 0.80 ITGB2 (0.35) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4720518 0.80 ITGB2 (0.35) ITGB2ICAM1ITGALSOS1ABL1
SCHEMBL4720760 0.80 CDK1 (0.35) ITGB2ICAM1ITGALSOS1ABL1

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed