SCHEMBL8802144

SCHEMBL8802144

O=C(O)Cc1ccc2c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NOX4 Q9NPH5 1/20 0.51
P2RX4 Q99571 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.48
CCR2 P41597 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 4/20 0.47
PLA2G2A P14555 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
FOLH1 Q04609 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8387035 1.00 KMT2A (0.54) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8388468 0.88 MAPT (0.57) KMT2AALDH1A1HPGDNOX4P2RX4
SCHEMBL30616061 0.86 KMT2A (0.69) KMT2AALDH1A1HPGDNOX4P2RX4
SCHEMBL29093452 0.86 KMT2A (0.69) KMT2AALDH1A1HPGDNOX4P2RX4
SCHEMBL8386934 0.84 KDM4E (0.65) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8802871 0.83 SIGMAR1 (0.50) KMT2AALDH1A1KDM4EHPGDNOX4
SCHEMBL8389022 0.82 KDM4E (0.56) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8387038 0.80 KMT2A (0.54) KMT2AALDH1A1HPGDNOX4P2RX4
SCHEMBL2651119 0.79 TSHR (0.61) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL296300 0.79 TSHR (0.61) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1

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
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed