SCHEMBL4827830

SCHEMBL4827830

N=C(NO)N(O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ HDAC8 Q9BY41 6/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

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
SCHEMBL7320181 0.78 NPC1 (0.56) RIPK1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL9550228 0.77 NPC1 (0.50) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL11835115 0.76 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6378572 0.75 GRIN2D (0.56) ALOX5RIPK1GRIN2DGRIN3BGRIN1
SCHEMBL11834236 0.73 HDAC1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3279004 0.72 ALOX5 (0.60) ALOX5RIPK1ALDH1A1TSHRNPC1
SCHEMBL11127627 0.70 MGLL (0.52) ALOX5RIPK1ALDH1A1TSHRNPC1
SCHEMBL2462058 0.69 TSHR (0.64) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL11127626 0.68 ALOX5 (0.56) ALOX5RIPK1ALDH1A1TSHRNPC1
SCHEMBL13641355 0.68 NPC1 (0.58) RIPK1ALDH1A1TSHRNPC1RAB9A

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
US-7381542-B2 Nucleic acids encoding a biogenic amine receptor OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-06-03 — — US disclosed
US-20040072187-A1 Novel mammalian receptor genes and uses OREGON HEALTH & SCIENCE UNIVERSITY 2004-04-15 — — US disclosed
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