SCHEMBL8243710

SCHEMBL8243710

Cc1cc(-n2cc(CNC(=O)C3CC=C(Br)S3)nn2)ccc1N1CCOCC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOTUM Q6P988 1/20 0.37
KLKB1 P03952 1/20 0.36
MIF P14174 1/20 0.35

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
SCHEMBL8243711 0.89 F10 (0.41) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4911973 0.80 F10 (0.55) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8246070 0.73 F10 (0.39) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8243399 0.71 F10 (0.39) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8242480 0.70 F10 (0.38) F10
SCHEMBL4900327 0.69 F10 (0.53) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10313039 0.68 F10 (0.44) F10CYP3A4CYP2C9
SCHEMBL4908284 0.68 F10 (0.62) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10313019 0.66 F10 (0.39) F10NOTUMMIF
SCHEMBL4908733 0.65 F10 (0.58) F10

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-2007025940-A1 SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-08 WO disclosed