SCHEMBL9757418

SCHEMBL9757418

Nc1ccc2c(c1)CN(c1c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c1F)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.55
TOP2A P11388 8/20 0.55
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9757213 0.90 HPGD (0.51) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757441 0.89 KDM4E (0.47) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757662 0.89 KDM4E (0.47) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757351 0.89 TOP1 (0.50) TOP1TOP2AKDM4EALDH1A1POLB
SCHEMBL9757359 0.86 KDM4E (0.47) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757156 0.85 TOP2A (0.47) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757174 0.84 KDM4E (0.47) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9871193 0.83 KDM4E (0.64) TOP1TOP2AEPHA2FLT4GSK3B
SCHEMBL9757311 0.83 LMNA (0.53) TOP1TOP2AKDM4EALDH1A1POLB
SCHEMBL9870380 0.83 KDM4E (0.64) TOP1TOP2AEPHA2FLT4GSK3B

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed