SCHEMBL9545672

SCHEMBL9545672

O=[N+]([O-])c1ccc(NCCCO)c2ncccc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.86
KMT2A Q03164 7/20 0.69
NSD2 O96028 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ALDH1A1 P00352 8/20 0.67
LMNA P02545 6/20 0.65
MEN1 O00255 6/20 0.65
MAPK1 P28482 2/20 0.65
CTSB P07858 3/20 0.63
POLB P06746 1/20 0.58
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
BRD4 O60885 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL4507212 0.88 MAPT (0.86) MAPTKMT2ANSD2NPSR1ALDH1A1
SCHEMBL5394907 0.81 MAPT (0.56) MAPTKMT2ANSD2NPSR1ALDH1A1
SCHEMBL9545607 0.77 MAPT (0.58) MAPTKMT2ANPSR1ALDH1A1LMNA
SCHEMBL28138024 0.76 MAPT (0.64) MAPTKMT2ANSD2NPSR1ALDH1A1
SCHEMBL9299649 0.76 MAPT (0.65) MAPTKMT2ANSD2NPSR1ALDH1A1
Nitroxoline SCHEMBL16060959 0.76 MAPT (0.77) MAPTKMT2ANSD2NPSR1ALDH1A1
SCHEMBL6657973 0.76 LMNA (0.68) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17788961 0.75 GSTM2 (0.90) KMT2AMEN1POLBHTTGSTM2
SCHEMBL3181213 0.74 MAPT (0.49) MAPTKMT2ANSD2NPSR1ALDH1A1
Nitroxoline SCHEMBL16061009 0.73 MAPT (0.81) MAPTKMT2ANPSR1ALDH1A1LMNA

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
WO-1993020094-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR QUINOLINE ABBOTT LABORATORIES (US) 1993-10-14 WO disclosed