SCHEMBL9645797

SCHEMBL9645797

O=C1CCCN(c2cccc(F)c2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 1.00
G6PD P11413 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL10947701 0.90 ALOX5 (0.82) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9645270 0.83 ALOX5 (0.71) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9644532 0.83 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9644528 0.81 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9647006 0.81 ALOX5 (0.68) ALOX5ALDH1A1POLBGAAMAPT
SCHEMBL9644476 0.81 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9645398 0.81 ALOX5 (1.00) ALOX5ALDH1A1MAPT
SCHEMBL9647122 0.80 ALOX5 (0.70) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL1274602 0.80 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9647020 0.79 ALOX5 (1.00) 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