SCHEMBL6818632

SCHEMBL6818632

COc1ccc(C=CC(=O)Cl)cc1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.64
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NFE2L2 Q16236 2/20 0.53
MCL1 Q07820 1/20 0.52
KMT2A Q03164 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
MEN1 O00255 1/20 0.51
BACE1 P56817 2/20 0.50
ALOX5 P09917 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT3 P40763 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL6818628 1.00 TUBB1 (0.64) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL584263 0.86 KDM4E (0.73) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL584262 0.86 KDM4E (0.73) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL30548412 0.86 TUBB1 (0.66) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL29090925 0.86 TUBB1 (0.66) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL24164775 0.86 TUBB1 (0.66) TUBB1KDM4EALDH1A1HPGDALOX15
SCHEMBL1589619 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL29503043 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL1589618 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
Hydrochloric Acid SCHEMBL6818633 0.84 KDM4E (0.71) TUBB1KDM4EALDH1A1HPGDALOX15

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed