SCHEMBL7362866

SCHEMBL7362866

O=c1nnc(-c2cccc([N+](=O)[O-])c2)c2[nH]cccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ELANE P08246 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PTPRC P08575 1/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP2 O95551 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4D Q08499 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 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
SCHEMBL7370627 0.80 MAOB (0.51) KMT2AIDO1KDM4EALDH1A1
SCHEMBL7366344 0.79 MAOB (0.50) MEN1KMT2AIDO1MAPTRAB9A
SCHEMBL7370353 0.76 MAOB (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30770373 0.75 NPC1 (0.45) MEN1KMT2AELANEIDO1MAPT
SCHEMBL7363661 0.73 MEN1 (0.51) MEN1KMT2AELANEIDO1MAPT
SCHEMBL28078653 0.73 MAPT (0.59) MEN1KMT2AIDO1MAPTRAB9A
SCHEMBL7369411 0.72 RAB9A (0.42) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL7364174 0.70 KDR (0.46) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL9589179 0.69 MAPT (0.58) MEN1KMT2AELANEIDO1MAPT
SCHEMBL5661964 0.68 MEN1 (0.49) MEN1KMT2AELANEIDO1MAPT

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