SCHEMBL9710653

SCHEMBL9710653

COc1cc(-n2c(C#N)c3n(c2=O)CCC=C3)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL9711080 0.79 PPOX (0.45) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710820 0.79 PPOX (0.43) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710798 0.78 PPOX (0.44) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710925 0.78 PPOX (0.43) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710809 0.78 PPOX (0.44) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710813 0.77 PPOX (0.45) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710639 0.76 PPOX (0.47) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710587 0.76 PPOX (0.47) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710827 0.76 PPOX (0.47) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710608 0.75 PPOX (0.43) PPOXALDH1A1MAPTHSP90AA1PKM

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
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed