SCHEMBL9380781

SCHEMBL9380781

NC(=O)N(O)C[C@@H]1C[C@H]1c1cccc(Oc2cccnc2)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.76
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL9380777 1.00 ALOX5 (0.76) ALOX5LMNATDP1FFAR1HTR2A
SCHEMBL9380039 0.89 ALOX5 (0.83) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9380042 0.89 ALOX5 (0.83) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9195122 0.87 ALOX5 (1.00) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9195116 0.87 ALOX5 (1.00) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9387034 0.85 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9382596 0.85 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9382597 0.85 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9387029 0.85 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9385667 0.84 ALOX5 (0.56) ALOX5FFAR1

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
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed