SCHEMBL9538346

SCHEMBL9538346

CNC1CCC2=C1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c1F)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9539535 0.90 KDM4E (0.45) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9535373 0.89 KMT2A (0.49) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9535368 0.83 TOP2A (0.51) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9538815 0.82 KDM4E (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
Hydrochloric Acid SCHEMBL9690870 0.82 KDM4E (0.49) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9692708 0.82 KDM4E (0.49) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9869272 0.81 TOP1 (0.54) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9757213 0.80 HPGD (0.51) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9870380 0.79 KDM4E (0.64) KMT2AKDM4EALDH1A1POLBHPGD
SCHEMBL9537286 0.78 KDM4E (0.46) KMT2AKDM4EALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed