SCHEMBL30587667

SCHEMBL30587667

NC1=COc2ccccc2N=C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.47
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13996942 0.68 TRPA1 (0.57) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL11165330 0.67 MAPT (0.46) TRPA1MAPTMEN1KMT2AKDM4E
SCHEMBL9232229 0.67 TRPA1 (0.55) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL22001 0.66 TRPA1 (0.43) TRPA1MAPTMEN1HTTKMT2A
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.64 TRPA1 (1.00) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL8120117 0.63 TRPA1 (0.61) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL3092641 0.63 TRPA1 (0.41) TRPA1CYP1A2CYP2D6KDM4ELMNA
SCHEMBL692060 0.63 TRPA1 (0.41) TRPA1CYP1A2CYP2D6
Dibenzo[B,F][1,4]Oxazepine SCHEMBL30601896 0.63 TRPA1 (0.96) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL10193002 0.61 TRPA1 (0.53) TRPA1MAPTMEN1HTTKMT2A

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed