SCHEMBL16377367

SCHEMBL16377367

[N-]=[N+]=NC[C@@H](I)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ACP3 P15309 1/20 0.32
KAT2B Q92831 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH1 P35367 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL13460409 0.81 L3MBTL1 (0.43) L3MBTL1GAAAURKARPS6KB1GPR88
SCHEMBL15382014 0.80 LMNA (0.47) L3MBTL1GAATAAR1RAB9A
SCHEMBL16746745 0.80 LMNA (0.47) L3MBTL1GAATAAR1RAB9A
SCHEMBL15382015 0.80 LMNA (0.47) L3MBTL1GAATAAR1RAB9A
SCHEMBL13516801 0.76 SCN4A (0.41) L3MBTL1GAAAURKARPS6KB1HTR2A
SCHEMBL18434877 0.76 TAAR1 (0.47) L3MBTL1GAAGPR88HTR2ATAAR1
SCHEMBL18321195 0.76 GAA (0.41) L3MBTL1GAAAURKARPS6KB1GPR88
SCHEMBL13438025 0.76 TAAR1 (0.47) L3MBTL1GAAGPR88HTR2ATAAR1
SCHEMBL27702036 0.76 SCN4A (0.41) L3MBTL1GAAAURKARPS6KB1HTR2A
Hydrochloric Acid SCHEMBL23112327 0.74 SCN4A (0.40) L3MBTL1GAAAURKARPS6KB1HTR2A

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
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 WO disclosed