SCHEMBL7422357

SCHEMBL7422357

Cc1nc(-c2cccc(Oc3ccc(C)c([N+](=O)[O-])c3)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 6/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
RECQL P46063 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL7421268 0.86 MAPT (0.60) L3MBTL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL5569675 0.83 MAPT (0.57) L3MBTL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL7425441 0.77 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL16435278 0.75 NPC1 (0.66) L3MBTL1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL31261581 0.74 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2271210 0.74 SMN1; SMN2 (0.54) RAB9ANPC1LMNASMN1; SMN2MAPK1
SCHEMBL7426351 0.73 L3MBTL1 (0.49) L3MBTL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL7430617 0.73 L3MBTL1 (0.49) L3MBTL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL16067423 0.73 L3MBTL1 (0.72) L3MBTL1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7427868 0.73 L3MBTL1 (0.51) L3MBTL1RAB9ANPC1LMNASMN1; SMN2

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