SCHEMBL9239245

SCHEMBL9239245

Fc1ccc(COc2ccc(CCl)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
APP P05067 1/20 0.42
ELOVL1 Q9BW60 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CXCR2 P25025 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL510358 0.84 GABRP (0.44) MAOBCXCR2NPC1
SCHEMBL9237638 0.83 CXCR2 (0.44) MAOBAPPELOVL1IDO1AGXT
SCHEMBL21503592 0.83 MAOB (0.59) MAOBAPPELOVL1IDO1AGXT
Hydrochloric Acid SCHEMBL30744406 0.81 MAOB (0.60) MAOBAPPELOVL1IDO1AGXT
Hydrochloric Acid SCHEMBL21491730 0.81 MAOB (0.60) MAOBAPPELOVL1IDO1AGXT
SCHEMBL15177149 0.80 ELOVL1 (0.43) MAOBAPPELOVL1IDO1AGXT
SCHEMBL510047 0.79 MAOB (0.49) MAOBAPPELOVL1IDO1AGXT
Methane SCHEMBL9237648 0.79 CXCR2 (0.44) MAOBAPPELOVL1IDO1AGXT
SCHEMBL3365264 0.79 MEN1 (0.60) MAOBAPPELOVL1IDO1AGXT
SCHEMBL510341 0.77 MAOB (0.39) MAOBAPPELOVL1IDO1AGXT

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-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed
US-4908379-A Insecticides, acaricides, nematocides, fungicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-03-13 US disclosed
EP-0339105-A1 Nitrogen-containing heterocyclic compounds and compositions for controlling and/or preventing pests and blights (diseases) NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-02 EP disclosed