SCHEMBL9023391

SCHEMBL9023391

CSCC1CCN(c2c(F)cc3c(=O)c(OC(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TOP2A P11388 6/20 0.39
TOP2B Q02880 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PMP22 Q01453 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
SCHEMBL9023293 0.90 KMT2A (0.51) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL10914315 0.88 TOP1 (0.42) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL9023061 0.87 TOP1 (0.38) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL10442795 0.86 KMT2A (0.56) TOP1KMT2AALDH1A1TOP2ATOP2B
SCHEMBL10911437 0.84 KMT2A (0.42) TOP1KMT2AKDM4EALDH1A1TOP2A
SCHEMBL10911087 0.84 TOP1 (0.47) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL9022897 0.84 KCNH2 (0.54) TOP1KCNH2KDM4EALDH1A1TOP2A
SCHEMBL10911362 0.84 KMT2A (0.41) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL10913415 0.82 KDM4E (0.56) TOP1KCNH2KMT2AKDM4EALDH1A1
SCHEMBL10914229 0.81 KDM4E (0.52) TOP1KMT2AKDM4EALDH1A1TOP2A

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
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP claimed