SCHEMBL27201074

SCHEMBL27201074

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27201065 0.94 GAA (0.36) ALDH1A1GAACYP3A4TDP1
SCHEMBL21495742 0.92 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL21495739 0.92 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL21495688 0.88
SCHEMBL21495685 0.88
SCHEMBL27201081 0.85 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL27201102 0.85 AOC3 (0.32) ALDH1A1GAA
Hydrochloric Acid SCHEMBL23926266 0.81 GAA (0.36) GAA
Hydrochloric Acid SCHEMBL21495811 0.81 GAA (0.36) GAA
SCHEMBL21495285 0.81 MEN1 (0.32) ALDH1A1LMNA

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