SCHEMBL4657434

SCHEMBL4657434

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(C(C)C3CCCNC3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL4660857 0.87 KMT2A (0.38) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2959697 0.87 CCNT1 (0.38) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2954806 0.85 KMT2A (0.33) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2957792 0.81 ACHE (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2953761 0.80 KMT2A (0.37) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2960067 0.80 KMT2A (0.40) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2957660 0.78 CPT1A (0.41) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2957810 0.78 KCNQ1 (0.40) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2948289 0.77 TLR9 (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2953795 0.77 KMT2A (0.39) KMT2AMEN1MAPTLMNAALDH1A1

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 claimed
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