SCHEMBL8199826

SCHEMBL8199826

O=[N+]([O-])c1ccc(COCNc2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ PTPRF P10586 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GHSR Q92847 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL4836695 0.72 POLB (0.51) IDO1MAPTLMNAKMT2ARAB9A
SCHEMBL37463 0.72 IDO1 (0.70) IDO1MAPTAKR1C3RAB9ANPSR1
SCHEMBL28385446 0.71 IDO1 (0.56) IDO1MAPTLMNAKMT2AAKR1C3
SCHEMBL8824655 0.70 MAPT (0.52) IDO1MAPTKMT2A
SCHEMBL8199825 0.69 IDO1 (0.43) IDO1MAPTLMNAKMT2AAKR1C3
SCHEMBL11441117 0.69 IDO1 (0.61) IDO1MAPTLMNAKMT2AAKR1C3
SCHEMBL19621588 0.69 IDO1 (0.61) IDO1MAPTLMNAKMT2AAKR1C3
SCHEMBL6395926 0.69 IDO1 (0.53) IDO1MAPTLMNAAKR1C3RAB9A
SCHEMBL11777064 0.69 CA2 (0.51) MAPTLMNAKMT2A
SCHEMBL15559316 0.68 MGLL (0.46) MAPTKMT2ARAB9ANPSR1NPC1

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-2000026195-A1 NOVEL AMINO ACID HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-05-11 — — WO disclosed
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