SCHEMBL4458935

SCHEMBL4458935

O=C(O)N(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6905225 0.86 KMT2A (0.46) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL398536 0.86 NPSR1 (0.44) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL3424139 0.84 SMN1; SMN2 (0.44) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL5141689 0.83 NPSR1 (0.46) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL402771 0.83 NPSR1 (0.41) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL400582 0.82 NPSR1 (0.44) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL4657473 0.78 ALDH1A1 (0.58) NPSR1L3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2404029 0.76 NPSR1 (0.45) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL19778 0.75 NPSR1 (0.70) NPSR1L3MBTL1ATMTDP1ALDH1A1
SCHEMBL10418486 0.74 POLB (0.40) NPSR1L3MBTL1ATMTDP1ALDH1A1

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed