SCHEMBL7363661

SCHEMBL7363661

O=c1oc(-c2cccc([N+](=O)[O-])c2)c2[nH]cccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ELANE P08246 1/20 0.51
MAOB P27338 1/20 0.46
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PSMB8 P28062 1/20 0.43
PTPRC P08575 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
TDP2 O95551 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL7371168 0.79 MAPT (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7359478 0.79 MIF (0.42) MEN1KMT2AMAOBMAPTKDM4E
SCHEMBL7361674 0.79 MAOB (0.42) MEN1KMT2AMAOBMAPTRAB9A
SCHEMBL7362866 0.73 MEN1 (0.44) MEN1KMT2AELANEMAPTRAB9A
SCHEMBL7365563 0.72 CDK8 (0.46) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL28078653 0.71 MAPT (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL9589179 0.70 MAPT (0.58) MEN1KMT2AELANEMAPTNPC1
SCHEMBL5661964 0.69 MEN1 (0.49) MEN1KMT2AELANEMAPTRAB9A
SCHEMBL6738366 0.68 TSHR (0.76) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7367312 0.68 ALDH1A1 (0.47) MEN1KMT2AMAOBMAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed