SCHEMBL8147648

SCHEMBL8147648

[C-]#[N+]c1cc2cc(Br)c(Cl)cc2cc1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.33
AHR P35869 2/20 0.31

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
SCHEMBL8155455 1.00 CSNK2A1 (0.33) CSNK2A1AHR
SCHEMBL8149480 0.87
SCHEMBL8147651 0.87
SCHEMBL13303852 0.85 AHR (0.35) AHR
SCHEMBL8150363 0.79
SCHEMBL8141698 0.79 KDM1A (0.38)
SCHEMBL8147664 0.79
SCHEMBL8154306 0.79 KDM1A (0.38)
SCHEMBL8150150 0.73 CYP2A6 (0.42)
SCHEMBL8154003 0.73 CYP2A6 (0.42)

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed