SCHEMBL20103597

SCHEMBL20103597

Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.78
ALOX5 P09917 14/20 0.78
ALOX5AP P20292 1/20 0.68
MAPT P10636 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7541316 0.85 ALOX5 (0.78) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7547541 0.84 ALOX5 (0.76) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7542390 0.84 ALOX5 (0.76) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7541426 0.82 ALOX5 (0.74) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7548473 0.82 ALOX5 (0.74) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL20119189 0.82 EPHX2 (0.69) EPHX2ALOX5ALOX5APMAPTRXFP1
SCHEMBL7543398 0.82 ALOX5 (0.70) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7547546 0.81 ALOX5 (0.74) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7541610 0.81 ALOX5 (0.71) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL20103602 0.81 EPHX2 (1.00) 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