SCHEMBL9665362

SCHEMBL9665362

SCc1ncc(-c2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
KDR P35968 11/20 0.47
LOXL3 P58215 1/20 0.43
HTR7 P34969 1/20 0.43
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
ACP1 P24666 1/20 0.40
QPCT Q16769 1/20 0.40
GSTO1 P78417 1/20 0.40

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
SCHEMBL8830055 0.81 LOXL2 (0.58) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL21812622 0.81 LOXL2 (0.84) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL28207097 0.81 LOXL2 (0.58) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL17014778 0.81 LOXL2 (0.58) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL2226003 0.81 ERCC5 (0.63) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL2226631 0.81 LOXL2 (0.58) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL330645 0.79 LOXL2 (0.57) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL28815683 0.78 LOXL2 (0.55) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL2227416 0.78 LOXL2 (0.64) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL5153800 0.78 ERCC5 (0.54) LOXL2ERCC5FEN1KDRHTR7

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-0209751-B1 CEPHALOSPORIN DERIVATIVES AND BACTERICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-09-16 EP disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 EP disclosed