SCHEMBL7501877

SCHEMBL7501877

[O-][n+]1c2ccccc2cc2cnncc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.69
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL3084819 0.83 ATM (1.00) ATMMEN1KMT2APOLBCASP6
SCHEMBL11147269 0.77 ATM (0.48) ATMMEN1KMT2APOLBCASP6
SCHEMBL8606886 0.69 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1GLAMAPT
SCHEMBL7713054 0.67 ATM (0.48) ATM
SCHEMBL13156515 0.67 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1GLAMAPT
SCHEMBL13156571 0.67 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1GLAMAPT
SCHEMBL253244 0.65 ATM (0.41) ATMRAB9ANPC1ACHE
SCHEMBL9879567 0.65 KDM4E (0.34) ATMKMT2APOLBMAPT
Phthalazine SCHEMBL22439995 0.65 CYP2A6 (0.50) RAB9ANPC1ALDH1A1GLAMAPT
Phthalazine SCHEMBL29356700 0.65 CYP2A6 (0.50) RAB9ANPC1ALDH1A1GLAMAPT

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-0931081-B1 PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS MERZ & CO GMBH & CO (DE) 2002-09-25 EP disclosed
EP-0931081-A1 PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 1999-07-28 EP disclosed
US-5776935-A ANTAGONISTS OF STRYCHNINE-INSENSITIVE GLYCINE SITE OF N-METHYLASPARTIC ACID RECEPTOR MERZ & CO. GMBH & CO. (DE) 1998-07-07 US disclosed
WO-1998004556-A1 PYRIDAZINO [4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS MERZ + CO. GMBH & CO. (DE) 1998-02-05 WO disclosed