SCHEMBL27558267

SCHEMBL27558267

NC(=O)N(c1ccc(-c2ccc(C(=O)O)cc2O)cc1)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35

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
SCHEMBL27499554 0.85 ALDH1A1 (0.40) KDM4EMAPTPRKAB2PRKAG1PRKAA2
SCHEMBL5612906 0.84 TTR (0.40) CA1CA2CA9POLBKDM4E
SCHEMBL27576157 0.79 HNF4A (0.54) MAPTL3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL6816973 0.78 KMO (0.39) CA1CA2CA9CA12CA6
SCHEMBL27576101 0.78 EGFR (0.41) EGFRCA1CA2CA9KDM4E
SCHEMBL27576158 0.76 KDM4E (0.46) EGFRCA1CA2CA9POLB
SCHEMBL5594898 0.73 PARP1 (0.39) CA2POLBKDM4EGAAMAPT
SCHEMBL27587710 0.73 HSD17B1 (0.41) DHODH
SCHEMBL3663963 0.72 POLB (0.59) EGFRCA1CA2CA9POLB
SCHEMBL26981142 0.72 KDM4E (0.64) EGFRCA1CA2CA9POLB

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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed