SCHEMBL1048383

SCHEMBL1048383

Nc1c(C(=O)O)ccc(N=Nc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ MAPT P10636 6/20 0.48
▸ IDE P14735 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP3A4 P08684 5/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ MYC P01106 1/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ HBB P68871 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL30626464 0.78 ALDH1A1 (0.55) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL26963219 0.78 ALDH1A1 (0.55) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL10397259 0.78 MAPT (0.50) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL6129304 0.75 MEN1 (0.44) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL10442506 0.73 MAPT (0.41) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9258251 0.72 GPR35 (0.50) MEN1KMT2AMAPTIDETDP1
SCHEMBL1644833 0.71 ALDH1A1 (0.47) MAPTTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL11801238 0.71 ALDH1A1 (0.47) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL28220369 0.70 GPR35 (0.47) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL7155934 0.70 TDP1 (0.56) MEN1KMT2AMAPTIDETDP1

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-2276798-A1 METHOD FOR CROSSLINKING BY THERMAL HUISGEN REACTION, CROSSLINKABLE CHROMOPHORIC POLYMERS, AND CROSSLINKED POLYMER SUBSTANCES HAVING STABLE ELECTRO-OPTICAL PROPERTIES Centre National de la Recherche Scientifique - CNRS (FR) 2011-01-26 — — EP disclosed
WO-2009138643-A1 METHOD FOR CROSSLINKING BY THERMAL HUISGEN REACTION, CROSSLINKABLE CHROMOPHORIC POLYMERS, AND CROSSLINKED POLYMER SUBSTANCES HAVING STABLE ELECTRO-OPTICAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2009-11-19 — — WO disclosed
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