SCHEMBL7009836

SCHEMBL7009836

COc1cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.44
TOP2A P11388 9/20 0.40
PIM1 P11309 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TOP2B Q02880 3/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL7011151 0.89 TOP1 (0.49) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7011903 0.88 TOP1 (0.46) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL6578587 0.85 TOP1 (0.54) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7009285 0.83 TOP1 (0.49) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7009566 0.82 TOP1 (0.52) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7010776 0.82 TOP1 (0.48) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7014048 0.81 TOP1 (0.46) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7009311 0.81 TOP1 (0.45) TOP1TOP2AKDM4EALDH1A1POLB
SCHEMBL7010874 0.80 TOP1 (0.46) TOP1TOP2APIM1KDM4EALDH1A1
SCHEMBL7006859 0.80 TOP1 (0.52) TOP1TOP2APIM1KDM4EALDH1A1

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