SCHEMBL20103598

SCHEMBL20103598

Cc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2C)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.86
ALOX5 P09917 17/20 0.86
ALOX5AP P20292 1/20 0.77

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
SCHEMBL20103602 0.87 EPHX2 (1.00) EPHX2ALOX5ALOX5AP
SCHEMBL20103430 0.86 ALOX5 (0.78) EPHX2ALOX5ALOX5AP
SCHEMBL7542390 0.85 ALOX5 (0.76) EPHX2ALOX5ALOX5AP
SCHEMBL20103816 0.85 ALOX5 (0.68) EPHX2ALOX5ALOX5AP
SCHEMBL7541316 0.84 ALOX5 (0.78) EPHX2ALOX5ALOX5AP
SCHEMBL7548473 0.84 ALOX5 (0.74) EPHX2ALOX5ALOX5AP
SCHEMBL7547541 0.83 ALOX5 (0.76) EPHX2ALOX5ALOX5AP
SCHEMBL7541610 0.82 ALOX5 (0.71) EPHX2ALOX5ALOX5AP
SCHEMBL7541426 0.82 ALOX5 (0.74) EPHX2ALOX5ALOX5AP
SCHEMBL7544371 0.81 ALOX5 (0.70) EPHX2ALOX5ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077898-A1 N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE UNIVERSITÄT INNSBRUCK (AT) 2018-05-03 WO disclosed
EP-3315495-A1 N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE Universität Innsbruck (AT) 2018-05-02 EP disclosed