SCHEMBL9668573

SCHEMBL9668573

O=C(NO)NCCc1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ PTGER1 P34995 1/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ PTGER2 P43116 1/20 0.53
▸ ABCB1 P08183 2/20 0.49
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ LMNA P02545 3/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.48
▸ MGLL Q99685 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL8540588 0.79 NQO2 (0.53) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9668580 0.79 EPHX2 (0.62) KMT2AMEN1
SCHEMBL8677028 0.78 NPC1 (0.67) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL10712905 0.77 LMNA (0.64) HTR1ADRD2LMNASGMS2GAA
SCHEMBL2038509 0.76 PTGER1 (0.67) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7650855 0.76 HTR1A (0.67) HTR1ADRD2ABCB1LMNAGAA
SCHEMBL6357661 0.75 SGMS2 (0.52) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL5305401 0.75 LMNA (0.60) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8577017 0.74 HTR1A (0.46) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL3930253 0.74 HTR1A (0.59) HTR1ADRD2PTGER1PTGER4PTGER3

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-0456760-A4 LIPOXYGENASE INHIBITING COMPOUNDS — 1992-01-08 — — EP disclosed
EP-0456760-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-21 — — EP disclosed
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