SCHEMBL6167967

SCHEMBL6167967

COc1ccc(N2C(=O)C(c3ccc(Cc4ccccc4)cc3)NC2=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
LTA4H P09960 1/20 0.49
GAA P10253 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 3/20 0.46
NR1H3 Q13133 1/20 0.44
SOAT1 P35610 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6169375 0.84 GAA (0.50) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL6169699 0.77 GAA (0.49) ALDH1A1ALOX12NPSR1GAACYP3A4
SCHEMBL5954554 0.75 LTA4H (0.50) ALDH1A1MEN1KMT2ATSHRLTA4H
SCHEMBL5954399 0.75 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2ATSHRLTA4H
SCHEMBL6167361 0.74 GAA (0.58) ALDH1A1ALOX12NPSR1MEN1KMT2A
SCHEMBL6168233 0.72 NPC1 (0.48) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL13879473 0.71 NR1H3 (0.51) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL5955299 0.71 LTA4H (0.50) ALDH1A1MEN1KMT2ATSHRLTA4H
SCHEMBL8726537 0.70 MEN1 (0.60) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL6169513 0.70 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AGAACYP3A4

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
EP-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 WO disclosed