SCHEMBL9710608

SCHEMBL9710608

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.43
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GPR6 P46095 4/20 0.32
KDM4E B2RXH2 1/20 0.31
HTR2C P28335 1/20 0.31

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 0.83 PPOX (0.45) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710798 0.82 PPOX (0.44) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710809 0.81 PPOX (0.44) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710783 0.79 PPOX (0.43) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710827 0.78 PPOX (0.47) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710587 0.78 PPOX (0.47) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710639 0.78 PPOX (0.47) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710839 0.77 PPOX (0.46) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710761 0.77 PPOX (0.46) PPOXALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9710653 0.75 PPOX (0.41) PPOXALDH1A1LMNASMN1; SMN2TP53

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