SCHEMBL18328149

SCHEMBL18328149

[N-]=[N+]=NC(CCl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 1/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ACP3 P15309 2/20 0.32
HRH1 P35367 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
GRM7 Q14831 1/20 0.30
GAA P10253 1/20 0.30
PDE2A O00408 1/20 0.30
AOC3 Q16853 1/20 0.30
DPP4 P27487 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
SCHEMBL13979646 0.83 MIF (0.41) MIFL3MBTL1NOS3NOS2TSHR
SCHEMBL14395402 0.83 MIF (0.41) MIFL3MBTL1NOS3NOS2TSHR
SCHEMBL28118844 0.82 MIF (0.53) MIFL3MBTL1NOS3NOS2LMNA
SCHEMBL28317957 0.81 MIF (0.37) MIFL3MBTL1NOS3NOS2TSHR
SCHEMBL15382016 0.80 NOS3 (0.41) MIFL3MBTL1NOS3NOS2LMNA
SCHEMBL15144137 0.80 L3MBTL1 (0.43) MIFL3MBTL1NOS3NOS2LMNA
SCHEMBL27924817 0.80 MIF (0.39) MIFL3MBTL1NOS3NOS2TSHR
SCHEMBL16864595 0.80 NOS3 (0.41) MIFL3MBTL1NOS3NOS2LMNA
SCHEMBL16147765 0.80 TAAR1 (0.46) MIFL3MBTL1NOS3NOS2CYP2C19
SCHEMBL15382013 0.80 NOS3 (0.41) MIFL3MBTL1NOS3NOS2LMNA

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-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 WO disclosed