SCHEMBL28049586

SCHEMBL28049586

Clc1ccc(OCc2cccnc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
MAPK1 P28482 2/20 0.50
GRM2 Q14416 1/20 0.50
F9 P00740 1/20 0.49
F10 P00742 1/20 0.49
MAOA P21397 1/20 0.49
DYRK1A Q13627 1/20 0.49
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL13577135 0.87 F9 (0.49) HTTMEN1ALDH1A1LMNAMAPT
SCHEMBL14103122 0.84 PRKAB2 (0.48) HTTLMNAMAPK1GRM2F9
SCHEMBL14102945 0.83 GRM2 (0.47) HTTMAPK1GRM2F9F10
SCHEMBL28048524 0.83 MAPK1 (0.64) HTTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL8881389 0.82 HTT (0.62) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL28011530 0.82 MAPK1 (0.64) LMNAMAPK1GRM2F9F10
SCHEMBL2567241 0.81 MAPK1 (0.50) HTTMEN1ALDH1A1LMNAMAPT
SCHEMBL28049587 0.81 GRM5 (0.53) HTTMEN1MAPTKMT2AMRGPRX4
SCHEMBL28244529 0.79 ALOX5 (0.67) MRGPRX4MAPK1F9F10MAOA
SCHEMBL22517092 0.79 MAPK1 (0.49) HTTMEN1MAPTKMT2AMAPK1

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-105263490-A Substituted triazolopyridines and methods of use GENENTECH INC 2016-01-20 CN disclosed