SCHEMBL4660857

SCHEMBL4660857

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(C(C)C3CCCCN3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.38
MEN1 O00255 8/20 0.38
MAPT P10636 6/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4657434 0.87 CCNT1 (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2957792 0.82 ACHE (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2953761 0.81 KMT2A (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2959697 0.81 CCNT1 (0.38) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2960067 0.81 KMT2A (0.40) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2957660 0.79 CPT1A (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2957810 0.79 KCNQ1 (0.40) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2948289 0.78 TLR9 (0.42) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2953795 0.78 KMT2A (0.39) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2953799 0.78 KMT2A (0.39) KMT2AMEN1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP disclosed
EP-1771425-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-11 EP disclosed
WO-2006016039-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-02-16 WO disclosed