SCHEMBL10783151

SCHEMBL10783151

NC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PKM P14618 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.45
F2 P00734 2/20 0.44
PLAU P00749 2/20 0.44
KLKB1 P03952 2/20 0.44
ELANE P08246 2/20 0.44
HDAC1 Q13547 1/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL17316432 0.84 PKM (0.52) LMNAPKMKMT2AMEN1F2
SCHEMBL185087 0.83 LMNA (0.53) LMNAPKMKMT2AMEN1F2
SCHEMBL1865930 0.81 LMNA (0.47) LMNAPKMKMT2AMEN1HDAC1
SCHEMBL29665356 0.81 LMNA (0.54) LMNAPKMKMT2AMEN1F2
SCHEMBL17316285 0.80 LMNA (0.49) LMNAPKMKMT2AMEN1HDAC1
SCHEMBL1857009 0.80 LMNA (0.52) LMNAPKMKMT2AMEN1F2
SCHEMBL21199265 0.80 SOS1 (0.52) LMNAPKMKMT2AMEN1TSHR
SCHEMBL17316380 0.80 LMNA (0.47) LMNAPKMKMT2AMEN1HDAC1
SCHEMBL1866232 0.79 F2 (0.49) LMNAPKMKMT2AMEN1F2
SCHEMBL25430551 0.78 PKM (0.47) LMNAPKMKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665073-A HISTAMINE H2-ANTAGONISTS ICI AMERICAS INC. (GB) 1987-05-12 US disclosed
EP-0060094-B1 GUANIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-22 EP disclosed
US-4447441-A ANTIHISTAMINE, ANTIULCER AND ANTISECRETORY AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-08 US disclosed
EP-0060094-A2 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP disclosed