SCHEMBL9645398

SCHEMBL9645398

O=C1CCCN(c2cccc(C(F)(F)F)c2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 1.00
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL9645808 0.85 ALOX5 (0.74) ALOX5
SCHEMBL9645819 0.82 ALOX5 (0.69) ALOX5
SCHEMBL9645797 0.81 ALOX5 (1.00) ALOX5ALDH1A1MAPT
SCHEMBL9644532 0.79 ALOX5 (1.00) ALOX5
SCHEMBL9644476 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9644528 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9645349 0.77 ALOX5 (0.65) ALOX5HTR3EHTR3BALDH1A1HTR1D
SCHEMBL1274602 0.76 ALOX5 (1.00) ALOX5
SCHEMBL9645676 0.76 ALOX5 (0.61) ALOX5
SCHEMBL9647020 0.75 ALOX5 (1.00) ALOX5MAPT

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