SCHEMBL9645440

SCHEMBL9645440

O=C1NCCN(c2ccccn2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 1.00
PLD1 Q13393 1/20 0.49

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
SCHEMBL19062530 0.78 ALOX5 (0.64) ALOX5PLD1
SCHEMBL9647038 0.75 ALOX5 (0.60) ALOX5PLD1
SCHEMBL6009938 0.75 ALOX5 (1.00) ALOX5
SCHEMBL2198674 0.74 CRBN (0.63) ALOX5PLD1
SCHEMBL30702779 0.74 CRBN (0.63) ALOX5PLD1
SCHEMBL29090079 0.71 CRBN (0.55) ALOX5PLD1
SCHEMBL10372480 0.71 ALOX5 (0.55) ALOX5PLD1
SCHEMBL20812359 0.70 PLD1 (0.62) ALOX5PLD1
SCHEMBL30666340 0.70 PLD1 (0.62) ALOX5PLD1
SCHEMBL9645786 0.70 ALOX5 (0.61) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US claimed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP claimed
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