SCHEMBL7014048

SCHEMBL7014048

CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.46
PIM1 P11309 3/20 0.44
TOP2A P11388 11/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TOP2B Q02880 4/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7007296 0.90 TOP1 (0.46) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7010755 0.89 PIM1 (0.46) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7008534 0.88 TOP1 (0.42) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7005792 0.88 TOP1 (0.40) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7012923 0.88 TOP1 (0.46) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7099804 0.87 PIM1 (0.47) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7011151 0.87 TOP1 (0.49) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL6578587 0.87 TOP1 (0.54) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7004917 0.87 TOP1 (0.44) TOP1PIM1TOP2AKDM4EALDH1A1
SCHEMBL7011490 0.87 TOP1 (0.44) TOP1PIM1TOP2AKDM4EALDH1A1

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