SCHEMBL28293773

SCHEMBL28293773

CCN(C)C=Nc1cc(C)c(Cc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.33
KMT2A Q03164 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
AOC3 Q16853 1/20 0.30
CCR5 P51681 1/20 0.30
KCNH2 Q12809 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
SCHEMBL28292045 0.89 KMT2A (0.30) KMT2A
SCHEMBL28292035 0.87 KMT2A (0.42) KMT2A
SCHEMBL28292068 0.87 TAAR1 (0.39) ENPP1KMT2AAOC3
SCHEMBL28293884 0.86 KDM4E (0.33)
SCHEMBL28292062 0.86 CHRM4 (0.37) ENPP1
SCHEMBL28872646 0.85 ALDH1A1 (0.38)
SCHEMBL28292063 0.84 RIPK1 (0.30)
SCHEMBL28293764 0.83 CYP2A6 (0.37) KMT2A
SCHEMBL28293888 0.83 KMT2A (0.35) KMT2A
SCHEMBL28292143 0.83 SMN1; SMN2 (0.42) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN claimed
CN-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN disclosed