SCHEMBL6587771

SCHEMBL6587771

Cc1cc(Br)ccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8499168 0.92 ALDH1A1 (0.35) ALDH1A1CA1CA2MAPK1
Hydrochloric Acid SCHEMBL8497331 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL1363997 0.85 ALDH1A1 (0.30) ALDH1A1MAPK1
SCHEMBL27688831 0.83
SCHEMBL28034889 0.80 TDP1 (0.37) ALDH1A1
SCHEMBL29094042 0.78 ACHE (0.31)
SCHEMBL3655524 0.78
SCHEMBL9947629 0.77 CYP3A4 (0.36)
SCHEMBL6588098 0.77 KDM4E (0.36) ALDH1A1
SCHEMBL10667614 0.76 PDE2A (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed