SCHEMBL30852998

SCHEMBL30852998

COC(=O)C(Oc1cc(Oc2ccccc2C#N)ncn1)=C(OC)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.39
PIN1 Q13526 1/20 0.38
MAP4K4 O95819 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SYK P43405 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35
EZH2 Q15910 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL9148647 1.00 MAPK14 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL8499271 0.80 MAP4K4 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL22371494 0.79 MAP4K4 (0.40) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL9494059 0.78 MAP4K4 (0.41) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL55086 0.76 MAP4K4 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL9065463 0.76 MAP4K4 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL24507690 0.76 MAP4K4 (0.56) MAPK14PIN1MAP4K4SYKGAA
SCHEMBL9496487 0.75 MAP4K4 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL2108060 0.75 POLB (0.40) MAPK14PIN1MAP4K4ALDH1A1HPGD
SCHEMBL21389595 0.75 MAP4K4 (0.39) MAPK14PIN1MAP4K4ALDH1A1HPGD

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
CN-117642070-A Aqueous fungicide mixture formulations 安道麦马克西姆有限公司 2024-03-01 CN disclosed