SCHEMBL27273104

SCHEMBL27273104

[O]Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
TSHR P16473 2/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 4/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.54
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
LMNA P02545 1/20 0.47
VCAM1 P19320 1/20 0.47
PDE7A Q13946 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
PDE7B Q9NP56 1/20 0.43

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
SCHEMBL2949639 0.85 TSHR (0.60) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL67864 0.85 MAPK1 (0.60) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL68713 0.83 TSHR (0.58) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL68181 0.83 TSHR (0.58) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL899743 0.83 TSHR (0.58) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL9191570 0.83 MAPK1 (0.58) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL6377973 0.83 MAPK1 (0.58) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL28960511 0.81 TSHR (0.56) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL405093 0.80 TSHR (0.55) MAPK1TSHRKMT2AMEN1ALDH1A1
SCHEMBL1663911 0.80 NOS3 (0.63) MAPK1TSHRKMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016175-B Imidazoquinoline antithrombin cardiotonic agents BRISTOL MYERS CO (US) 1992-04-08 CN disclosed
CN-86102747-A The preparation method of imidazoquinoline antithombogehic cardiotonic agents 1987-02-04 CN disclosed