SCHEMBL22010240

SCHEMBL22010240

CN(CCC#N)c1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
RELA Q04206 1/20 0.37

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
SCHEMBL2604954 0.86 MEN1 (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10046156 0.84 ALDH1A1 (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10046157 0.84 MAPT (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14700366 0.82 MEN1 (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17678725 0.82 MEN1 (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14147480 0.82 MEN1 (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2606579 0.82 MAPT (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12658311 0.81 MEN1 (0.44) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17678789 0.80 KMT2A (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2604955 0.79 MEN1 (0.49) MEN1KMT2ARAB9ANPC1MAPT

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-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed