SCHEMBL9645295

SCHEMBL9645295

O=C1CC=CN(c2ccccc2)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.40
GSK3B P49841 5/20 0.40
CTSG P08311 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
RGS4 P49798 1/20 0.37
RGS8 P57771 1/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL27477427 0.80 HPGD (0.49) GSK3AGSK3BCTSGF2PLG
SCHEMBL9645868 0.80 APP (0.40) CTSGALDH1A1
SCHEMBL9645288 0.73 GAA (0.44) CTSGCMA1ALDH1A1L3MBTL1GAA
SCHEMBL7301415 0.72 MEN1 (0.37) GSK3AGSK3BALDH1A1MGLLGAA
SCHEMBL25218597 0.70 MEN1 (0.53) GSK3AGSK3BCTSGF2PLG
SCHEMBL9645259 0.70 NPC1 (0.45) GSK3AGSK3BF2ALDH1A1GAA
SCHEMBL9396460 0.70 HPGD (0.46) GSK3AGSK3BCTSGF2PLG
SCHEMBL29157597 0.69 HPGD (0.45) GSK3AGSK3BCTSGF2PLG
SCHEMBL16291450 0.69 MEN1 (0.41) GSK3AGSK3BALDH1A1MGLLGAA
SCHEMBL7871541 0.68 ALDH1A1 (0.34) ALDH1A1L3MBTL1MGLLGAAPOLB

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed