SCHEMBL20119189

SCHEMBL20119189

Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.69
ALOX5 P09917 15/20 0.69
ALOX5AP P20292 1/20 0.64
NPSR1 Q6W5P4 2/20 0.52
THRB P10828 1/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL20103816 0.83 ALOX5 (0.68) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7540856 0.83 ALOX5 (0.70) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL20103597 0.82 EPHX2 (0.78) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7541316 0.81 ALOX5 (0.78) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7542390 0.80 ALOX5 (0.76) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7547541 0.80 ALOX5 (0.76) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7545084 0.80 ALOX5 (0.68) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7543398 0.79 ALOX5 (0.70) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL20103602 0.78 EPHX2 (1.00) EPHX2ALOX5ALOX5AP
SCHEMBL7548473 0.78 ALOX5 (0.74) EPHX2ALOX5ALOX5APNPC1MAPT

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 1 patent. 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