SCHEMBL6613744

SCHEMBL6613744

Cc1cc(C(Br)C=O)c(C)o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
NQO1 P15559 1/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7355993 0.78 L3MBTL1 (0.41) MEN1KMT2AMAPT
SCHEMBL4298346 0.69 ALOX5 (0.48) ALOX5CA1CA9NQO1MEN1
SCHEMBL22346875 0.68 CYP3A4 (0.33) CYP3A4
SCHEMBL11844598 0.67 ALOX5 (0.47) ALOX5CA1CA9NQO1MEN1
SCHEMBL4696046 0.67 TDP1 (0.42) ALOX5MEN1GLACYP3A4KMT2A
SCHEMBL3345714 0.67 CSF1R (0.31)
SCHEMBL7020503 0.66 ALOX5 (0.50) ALOX5CA1CA9NQO1MEN1
SCHEMBL6871868 0.64 ALOX5 (0.41) ALOX5
SCHEMBL3413433 0.64 TDP1 (0.35) MEN1CYP3A4KMT2AMAPT
SCHEMBL929896 0.64 LMNA (0.38) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO disclosed