SCHEMBL14700366

SCHEMBL14700366

CN(CCCl)c1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
RELA Q04206 1/20 0.40
SNCA P37840 1/20 0.40
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL14147480 0.86 MEN1 (0.46) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL17678725 0.86 MEN1 (0.46) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL12658311 0.84 MEN1 (0.44) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL17678789 0.83 KMT2A (0.48) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL22010240 0.82 MEN1 (0.62) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL14393724 0.81 PTGS1 (0.42) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL12658178 0.81 MEN1 (0.41) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL1597235 0.80 RELA (0.63) MEN1RAB9AKMT2ANPC1ATM
SCHEMBL1597234 0.80 RELA (0.63) MEN1RAB9AKMT2ANPC1ATM
Bromide SCHEMBL27758397 0.79 RELA (0.61) MEN1RAB9AKMT2ANPC1ATM

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-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 EP disclosed