SCHEMBL27201065

SCHEMBL27201065

CCN(C)C=Nc1cc(C)c(C(C#N)c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.35
SLC22A1 O15245 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HSPD1 P10809 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 1/20 0.35
TBXAS1 P24557 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL27201074 0.94 ALDH1A1 (0.35) GAACYP3A4TDP1ALDH1A1
SCHEMBL21495739 0.92 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL21495742 0.92 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL21495688 0.90
SCHEMBL21495685 0.90
SCHEMBL27201081 0.85 ALDH1A1 (0.35) GAAALDH1A1
SCHEMBL27201102 0.85 AOC3 (0.32) GAAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL23926266 0.81 GAA (0.36) GAA
Hydrochloric Acid SCHEMBL21495811 0.81 GAA (0.36) GAA
SCHEMBL21495452 0.81 AOC3 (0.33)

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
EP-3525588-B1 4-SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2024-04-24 EP claimed