SCHEMBL23482122

SCHEMBL23482122

CC/C(C)=C/c1ccc(CN)cc1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.33
NOS2 P35228 6/20 0.33
NOS3 P29474 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
ENPP2 Q13822 1/20 0.32
ABAT P80404 1/20 0.31
CSNK2A1 P68400 2/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PSIP1 O75475 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
SCHEMBL23481987 0.77 SMN1; SMN2 (0.38) NOS1NOS2NOS3SMN1; SMN2ALDH1A1
SCHEMBL23482085 0.74 USP2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL16199730 0.71 LOXL2 (0.39) LOXL2ENPP2ABATCSNK2A1
SCHEMBL17196021 0.71 LOXL2 (0.39) LOXL2ENPP2ABATCSNK2A1KDM4E
SCHEMBL24362844 0.67 PRKCI (0.34)
SCHEMBL23482021 0.66 SMN1; SMN2 (0.35) NOS1NOS2NOS3SMN1; SMN2ALDH1A1
SCHEMBL27526860 0.66 HSP90AB1 (0.44) SMN1; SMN2ALDH1A1LOXL2KDM4EPSIP1
SCHEMBL13385346 0.65 LOXL2 (0.50) SMN1; SMN2ALDH1A1CYP3A4LOXL2ENPP2
SCHEMBL8211010 0.64 ALDH1A1 (0.52) NOS1NOS2NOS3SMN1; SMN2ALDH1A1
SCHEMBL14081605 0.64 ENPP2 (0.52) SMN1; SMN2ALDH1A1LOXL2ENPP2ABAT

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
WO-2021111124-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS STORM THERAPEUTICS LIMITED (GB) 2021-06-10 WO disclosed