SCHEMBL9645235

SCHEMBL9645235

O=C1NN(c2ccccc2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.55
G6PD P11413 2/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL10415704 0.86 NAAA (0.48) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL2828339 0.81 ALOX5 (0.48) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL10417556 0.78 ALOX5 (0.46) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL10416816 0.77 ALOX5 (0.61) ALOX5
Phenidone SCHEMBL10904906 0.71 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
Phenidone SCHEMBL235192 0.71 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
Phenidone SCHEMBL8480957 0.69 ALOX5 (0.96) ALOX5G6PDALOX15ALOX12PTGS1
Phenidone SCHEMBL9281777 0.68 ALOX5 (0.92) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL6009938 0.68 ALOX5 (1.00) ALOX5
SCHEMBL9644469 0.68 ALOX5 (0.56) ALOX5G6PDALOX15ALOX12PTGS1

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