SCHEMBL6166029

SCHEMBL6166029

O=Cc1cc(Cc2cccnc2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.58
TBXAS1 P24557 14/20 0.51
CDK1 P06493 1/20 0.50

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
SCHEMBL10955136 0.88 TBXAS1 (0.51) ERN1TBXAS1
SCHEMBL11457521 0.82 IDH1 (0.63) ERN1CDK1
SCHEMBL283097 0.82 CDK1 (0.69) ERN1CDK1
SCHEMBL10702687 0.81 IDH1 (0.61) TBXAS1
SCHEMBL10955316 0.80 TBXAS1 (0.43) TBXAS1
SCHEMBL10955314 0.80 TBXAS1 (0.43) TBXAS1
SCHEMBL10958433 0.79 TBXAS1 (0.47) ERN1TBXAS1
SCHEMBL10949427 0.79 TBXAS1 (0.46) ERN1TBXAS1
SCHEMBL21096809 0.77 CDK1 (0.54) ERN1CDK1
SCHEMBL10950406 0.77 ESR1 (0.65) TBXAS1

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-1044974-B1 N-HYDROXYUREA DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-07-20 EP disclosed
US-6291482-B1 THROMBOXANE SYNTHASE INHIBITORY ANTI-INFLAMMATORY DRUG COMPRISING N-HYDROXY-N-(6-(3-PYRIDYMETHYL)-2H-1-BENZOPYRAN-3-YLMETHYL)URE A; ANTIALLERGIC, ANTIASTHMATIC NIKKEN CHEMICALS CO., LTD (JP) 2001-09-18 US disclosed
EP-1044974-A1 N-HYDROXYUREA DERIVATIVE AND MEDICINE CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 2000-10-18 EP disclosed
US-4495357-A THROMBOXANE A2 SYNTHETASE INHIBITORS THE UPJOHN COMPANY (US) 1985-01-22 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP disclosed