SCHEMBL16955445

SCHEMBL16955445

C=[C]c1cccc(O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
RECQL P46063 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
EGFR P00533 2/20 0.36
LMNA P02545 2/20 0.36
FYN P06241 2/20 0.36
MMP9 P14780 2/20 0.36
CA1 P00915 2/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
CA6 P23280 1/20 0.36
CDK2 P24941 1/20 0.36
MMP12 P39900 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
POLB P06746 2/20 0.34

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
SCHEMBL31616078 0.77 ALDH1A1 (0.36) CA2HPGDALOX15RECQLHSD17B10
SCHEMBL1663065 0.77 ESR2 (0.40) CA2HPGDALOX15RECQLHSD17B10
SCHEMBL16951264 0.76 DYRK1A (0.31)
SCHEMBL3312392 0.75
SCHEMBL70357 0.74
SCHEMBL16954573 0.73 TRPA1 (0.50) CA2HPGDALOX15RECQLHSD17B10
SCHEMBL16957342 0.73 TSHR (0.50) CA2HPGDALOX15RECQLHSD17B10
SCHEMBL16956231 0.73 TSHR (0.38) CA2ALDH1A1CA1TRPA1TSHR
SCHEMBL16956452 0.73
SCHEMBL16954758 0.73 CYP1A2 (0.35) TDP1ALDH1A1LMNATSHRCYP1A2

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed