SCHEMBL9710639

SCHEMBL9710639

COc1cc(-n2c(C#N)c3n(c2=O)CCCC3F)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.47
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9710827 0.90 PPOX (0.47) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710587 0.90 PPOX (0.47) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710829 0.90 PPOX (0.37) PPOX
SCHEMBL9710761 0.89 PPOX (0.46) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710839 0.89 PPOX (0.46) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710757 0.86 PPOX (0.34) PPOX
SCHEMBL9710868 0.85 PPOX (0.42) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710783 0.83 PPOX (0.43) PPOXALDH1A1MAPTHSP90AA1PKM
SCHEMBL9710640 0.83 PPOX (0.41) PPOXALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9711080 0.82 PPOX (0.45) 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 2 patents. 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 claimed
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed