SCHEMBL7433906

SCHEMBL7433906

N=C(NO)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
FFAR1 O14842 2/20 0.60
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HDAC8 Q9BY41 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47
SRD5A2 P31213 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
HSPB1 P04792 1/20 0.45
TLR4 O00206 1/20 0.45

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
SCHEMBL177838 0.80 KDM4E (1.00) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL31504019 0.80 KDM4E (0.72) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL2227754 0.79 PRSS1 (0.63) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11601386 0.79 KDM4E (0.76) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL177829 0.79 KDM4E (0.76) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL7632953 0.79 ALDH1A1 (0.77) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL27188054 0.79 ALDH1A1 (0.77) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL177676 0.78 FFAR1 (0.71) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL668647 0.78 FFAR1 (0.71) KDM4EFFAR1CRHBPCRHR2ALDH1A1
SCHEMBL10912746 0.77 FFAR1 (0.62) KDM4EFFAR1CRHBPCRHR2ALDH1A1

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
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed