SCHEMBL7008874

SCHEMBL7008874

Nc1cc(-n2cc(C(=O)O)c(=O)c3ccc(F)c(F)c32)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.43
TOP2A P11388 11/20 0.42
PIM1 P11309 1/20 0.40
TOP2B Q02880 5/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL7011785 0.87 TOP1 (0.46) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7009143 0.87 TOP1 (0.57) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7005300 0.84 TOP1 (0.49) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9145752 0.83 ALDH1A1 (0.50) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL6578587 0.81 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006508 0.81 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006897 0.81 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7007774 0.80 TOP1 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006405 0.80 TOP1 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7011151 0.79 TOP1 (0.49) TOP1ALDH1A1KDM4EPOLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed