SCHEMBL11289362

SCHEMBL11289362

CN(C)c1ccc(C(/C=C/c2ccccc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.63
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CASP3 P42574 1/20 0.49
CYP1B1 Q16678 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
APP P05067 6/20 0.46
MMP13 P45452 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL3892740 1.00 RELA (0.63) RELANPC1RAB9AKMT2AMAPT
SCHEMBL4630837 0.83 RELA (0.59) RELANPC1RAB9AKMT2AMAPT
SCHEMBL4630835 0.83 RELA (0.59) RELANPC1RAB9AKMT2AMAPT
SCHEMBL13504719 0.81 RELA (0.57) RELANPC1RAB9AKMT2AMAPT
SCHEMBL10932861 0.81 NR1H2 (0.43) RELAKMT2ASMN1; SMN2MMP13ALDH1A1
SCHEMBL3848021 0.80 CYP1A2 (0.55) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL11878598 0.80 CYP1A2 (0.55) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27929432 0.80 CYP1A2 (0.55) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10874389 0.80 SLC2A1 (0.60) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL1557244 0.78 RELA (1.00) RELANPC1RAB9AKMT2AMAPT

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-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 EP disclosed