SCHEMBL7444440

SCHEMBL7444440

CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(C)ccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.80
CHRM1 P11229 1/20 0.80
PDE4A P27815 1/20 0.80
KMT2A Q03164 1/20 0.80
PDE4D Q08499 1/20 0.80
PDE3A Q14432 1/20 0.80
ALOX5 P09917 2/20 0.41
EPHX2 P34913 1/20 0.41
ACHE P22303 1/20 0.41
QPCT Q16769 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
Dextofisopam SCHEMBL29376877 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Tofisopam SCHEMBL29832594 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Tofisopam SCHEMBL43522 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Levotofisopam SCHEMBL5431173 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Dextofisopam SCHEMBL8086913 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Tofisopam SCHEMBL4585183 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Tofisopam SCHEMBL8086894 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
Dextofisopam SCHEMBL236796 0.89 KMT2A (1.00) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL7433445 0.88 KMT2A (0.76) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL7434144 0.86 KMT2A (0.86) MEN1CHRM1PDE4AKMT2APDE4D

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
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed