SCHEMBL3160482

SCHEMBL3160482

Oc1cccc2c1Sc1c(Br)cccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ADAMTS4 O75173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MMP8 P22894 1/20 0.32
CA6 P23280 1/20 0.32
CDK2 P24941 1/20 0.32
MMP12 P39900 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADAMTS5 Q9UNA0 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
SCHEMBL1144919 0.87 MAOA (0.33) ALOX5ALDH1A1ALOX15TDP1
SCHEMBL18489034 0.80 ALOX5 (0.34) ALOX5ALDH1A1
SCHEMBL30788160 0.79 ALOX5 (0.43) ALOX5ALDH1A1HPGDALOX15TDP1
SCHEMBL5771393 0.79 ALOX5 (0.43) ALOX5ALDH1A1HPGDALOX15TDP1
SCHEMBL30936097 0.79 ALOX5 (0.56) ALOX5ADAMTS4ALDH1A1EGFRCA1
SCHEMBL2197852 0.79 ALOX5 (0.56) ALOX5ADAMTS4ALDH1A1EGFRCA1
SCHEMBL31084126 0.77 ALOX5 (0.55) ALOX5ADAMTS4ALDH1A1EGFRCA1
SCHEMBL3167772 0.69 ALOX5 (0.40) ALOX5ALDH1A1EGFRCA2LMNA
SCHEMBL124605 0.69 ALOX5 (0.60) ALOX5ADAMTS4ALDH1A1EGFRCA1
SCHEMBL29368510 0.69 ALOX5 (0.60) ALOX5ADAMTS4ALDH1A1EGFRCA1

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
EP-1654257-B1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-03-17 EP disclosed