SCHEMBL9645245

SCHEMBL9645245

O=C1NN(c2ccccc2)C=CO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.36
GSK3B P49841 5/20 0.36
GAA P10253 3/20 0.36
ALOX5 P09917 3/20 0.35
G6PD P11413 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL10514802 0.78 CFTR (0.32) GSK3BGAAALOX12MEN1RAB9A
SCHEMBL10515777 0.67 KAT2B (0.40) GSK3AGSK3BGAAG6PDALOX15
SCHEMBL9644474 0.67 GSK3A (0.41) GSK3AGSK3BGAAALOX5G6PD
SCHEMBL9644558 0.67 ALOX5 (0.38) GSK3AGSK3BGAAALOX5G6PD
SCHEMBL10514307 0.66 GAA (0.36) GSK3AGSK3BGAAALOX5G6PD
Ammonia Solution, Strong SCHEMBL1065028 0.65 CFTR (0.33) GSK3AGSK3BGAA
SCHEMBL4093751 0.65 ALOX5 (0.43) GSK3AGSK3BGAAALOX5G6PD
SCHEMBL9646990 0.63 ELANE (0.37) GSK3AGSK3BGAAALOX5G6PD
SCHEMBL2828339 0.63 ALOX5 (0.48) GSK3AGSK3BGAAALOX5G6PD
SCHEMBL9644526 0.62 KMT2A (0.39) GSK3AGSK3BGAAALOX5G6PD

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