SCHEMBL8026445

SCHEMBL8026445

CCOC(=O)CCCn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3CC(=O)OCC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.46
CNR2 P34972 7/20 0.42
BCHE P06276 1/20 0.39
CNR1 P21554 3/20 0.39
ITK Q08881 2/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38

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
SCHEMBL8028160 0.94 F2 (0.53) F2CNR2BCHECNR1BRD1
SCHEMBL8026369 0.92 F2 (0.43) F2CNR2CNR1
SCHEMBL8030582 0.92 CNR2 (0.43) F2CNR2CNR1
SCHEMBL8030061 0.91 F2 (0.48) F2CNR2BCHEBRD1BRPF1
SCHEMBL8016206 0.91 F2 (0.46) F2CNR2BCHECNR1
SCHEMBL8031600 0.90 BCHE (0.45) F2CNR2BCHE
SCHEMBL8029954 0.90 F2 (0.45) F2CNR2BCHEBRD1BRPF1
SCHEMBL8028095 0.90 F2 (0.48) F2CNR2CNR1BRD1BRPF1
SCHEMBL8143300 0.90 F2 (0.58) F2CNR2BCHEITKBRD1
SCHEMBL8032464 0.90 F2 (0.53) F2BRD1BRPF1BRPF3

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed