SCHEMBL28049587

SCHEMBL28049587

Clc1cc(Cl)cc(OCc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
GRM2 Q14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IKBKB O14920 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
MAOA P21397 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL4851777 0.90 HTR1A (0.51) GRM5GRM2SLC6A4MAPK1HTT
SCHEMBL28049625 0.90 GRM5 (0.64) GRM5GRM2SLC6A4MAPK1HTT
SCHEMBL5176764 0.85 MRGPRX4 (0.60) MRGPRX4HTTSMN1; SMN2MEN1KMT2A
SCHEMBL8881389 0.85 HTT (0.62) SLC6A4MAPK1HTTSMN1; SMN2MEN1
SCHEMBL28048524 0.82 MAPK1 (0.64) MAPK1HTTSMN1; SMN2IKBKBHTR1A
SCHEMBL22517092 0.81 MAPK1 (0.49) GRM5GRM2SLC6A4MAPK1HTT
SCHEMBL29726047 0.81 MAPK1 (0.49) GRM5GRM2SLC6A4MAPK1HTT
SCHEMBL28011530 0.81 MAPK1 (0.64) GRM2MAPK1HTR1ADRD2GPR132
SCHEMBL2567241 0.81 MAPK1 (0.50) GRM5GRM2SLC6A4MAPK1HTT
SCHEMBL28049586 0.81 HTT (0.53) MRGPRX4GRM2SLC6A4MAPK1HTT

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