SCHEMBL9065463

SCHEMBL9065463

CC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
SYK P43405 1/20 0.38
PIN1 Q13526 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.36
CYP3A4 P08684 1/20 0.36
EZH2 Q15910 2/20 0.36

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
SCHEMBL55086 1.00 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRMAPK14
SCHEMBL10045475 0.93 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRMAPK14
SCHEMBL21389595 0.93 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL4447188 0.92 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL4113006 0.92 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL55087 0.92 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL29362394 0.92 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL18823 0.92 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
Azoxystrobin SCHEMBL17701154 0.91 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14
SCHEMBL21384537 0.90 ALDH1A1 (0.38) MAP4K4ALDH1A1HPGDTSHRMAPK14

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
US-5554619-A Microbicides CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed