SCHEMBL8465476

SCHEMBL8465476

O=C(NI)N(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PTGIR P43119 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL12914594 0.81 NPSR1 (0.61) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL1563099 0.79 NPSR1 (0.58) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL900147 0.77 NPSR1 (0.56) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL4359334 0.77 NPSR1 (0.56) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL6503488 0.77 NPSR1 (0.56) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL264029 0.77 NPSR1 (0.56) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL6889531 0.77 NPSR1 (0.56) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL1382899 0.76 MEN1 (0.67) NPSR1KMT2AALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL27946914 0.76 NPSR1 (0.54) NPSR1KMT2AALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL9004700 0.76 NPSR1 (0.54) NPSR1KMT2AALDH1A1HTTNPC1

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
US-5939484-A RUBBER COMPOSITION COMPRISING NATURAL RUBBER AND/OR DIENE SYNTHETIC RUBBERS, SILICA, SILANE COUPLING AGENT, I.E., A BIS(ALKOXYSILYLALKYL) POLYSULFIDE, SILICA DISPERSION; TIRE TREAD BRIDGESTONE CORPORATION (JP) 1999-08-17 US disclosed