SCHEMBL1010582

SCHEMBL1010582

O=c1[nH]nc2cc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Br)cc3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MARS1 P56192 4/20 0.39
SMPD1 P17405 1/20 0.38
ALPL P05186 8/20 0.38
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
USP8 P40818 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL1009139 0.93 PTGS1 (0.45) PTGS1PTGS2MARS1ALPLKMT2A
SCHEMBL3819286 0.86 PTGS1 (0.40) PTGS1PTGS2MARS1ALPLKMT2A
SCHEMBL1011590 0.73 MARS1 (0.50) PTGS1PTGS2MARS1SMPD1KMT2A
SCHEMBL1008340 0.72 PTGS2 (0.36) PTGS1PTGS2MARS1
SCHEMBL1009784 0.71 PTGS1 (0.35) PTGS1PTGS2MARS1
SCHEMBL1011938 0.70 MARS1 (0.41) PTGS1PTGS2MARS1ALPLKMT2A
SCHEMBL1009682 0.70 PTGS1 (0.40) PTGS1PTGS2MARS1SMPD1MAPT
SCHEMBL1010452 0.70 MARS1 (0.49) PTGS1PTGS2MARS1
SCHEMBL1011693 0.70 ALDH1A1 (0.46) PTGS1PTGS2MARS1SMPD1ALPL
SCHEMBL1009578 0.65 CNR1 (0.40) PTGS1PTGS2MARS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP disclosed
EP-2094706-A2 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2009-09-02 EP disclosed
WO-2008068424-A2 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-06-12 WO disclosed