SCHEMBL6832262

SCHEMBL6832262

O=C(NO)N(c1ccccc1)c1ccnnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
MAPK14 Q16539 2/20 0.33
HDAC4 P56524 1/20 0.32
TSHR P16473 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8372607 0.84 NPSR1 (0.44) NPSR1CA1CA2KMT2AMEN1
SCHEMBL1563099 0.80 NPSR1 (0.58) NPSR1CA1CA2KMT2AMEN1
SCHEMBL27451872 0.79 NPSR1 (0.37) NPSR1KMT2ATRPM8HTTALDH1A1
SCHEMBL402771 0.72 NPSR1 (0.41) NPSR1CA1CA2KMT2AMEN1
SCHEMBL28794245 0.72 MTNR1A (0.36) NPSR1KMT2AMEN1HTTALDH1A1
SCHEMBL9431613 0.71 NAPRT (0.37) NPSR1KMT2AMEN1HTTALDH1A1
SCHEMBL12914594 0.70 NPSR1 (0.61) NPSR1CA1CA2KMT2AMEN1
SCHEMBL7521136 0.68
SCHEMBL27514959 0.68 EGFR (0.39) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL11788320 0.67 PTGIR (0.34) NPSR1CA1CA2KMT2AMEN1

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-6753363-B1 BASIC NITROGEN-CONTAINING COMPOUND, PHOSPHORUS COMPOUND FLAME RETARDANT, AND AROMATIC COMPOUND ACCELERATOR; MOLDABILITY POLYPLASTICS CO., LTD. (JP) 2004-06-22 US disclosed