SCHEMBL21885370

SCHEMBL21885370

CNCc1cc(C)c(C)c(CN)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
SHBG P04278 1/20 0.32
NOS1 P29475 4/20 0.31
HTR7 P34969 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
PRMT6 Q96LA8 1/20 0.30
NOS3 P29474 2/20 0.30
NOS2 P35228 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
SCHEMBL4570829 0.83 KDM4E (0.44) KDM4ECYP3A4MAPTSHBGNOS1
SCHEMBL21277499 0.81 SHBG (0.33) SHBG
SCHEMBL17059427 0.78 NOS1 (0.33) SHBGNOS1NOS3NOS2
SCHEMBL23639185 0.73 ALDH1A1 (0.46) KDM4ECYP3A4MAPTNOS1HTR7
SCHEMBL21884194 0.72 SLC6A4 (0.33) KDM4E
SCHEMBL14864130 0.72 KDM4E (0.42) KDM4ECYP3A4MAPTNOS1HTR7
SCHEMBL16152223 0.72 KDM4E (0.42) KDM4ECYP3A4MAPTNOS1HTR7
SCHEMBL91292 0.71 LOXL2 (0.35) LOXL2
SCHEMBL25678869 0.71 KDM4E (0.38) KDM4ECYP3A4MAPTNOS1HTR7
SCHEMBL19670031 0.71 SHBG (0.55) KDM4ECYP3A4MAPTSHBGNOS1

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-3397708-B1 LIQUID COMPOSITION FOR A WATERPROOFING MEMBRANE BOSTIK SA (FR) 2020-04-08 EP disclosed