SCHEMBL6948055

SCHEMBL6948055

CCCSc1nccc(C=O)n1.NC(=O)C1CCC(N)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
HSD11B1 P28845 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HASPIN Q8TF76 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CRBN Q96SW2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4109091 0.81 HASPIN (0.37) KMT2AHASPINALOX15ADORA3ALDH1A1
SCHEMBL4987746 0.79 KMT2A (0.40) KMT2AHASPINPOLBCYP1A2ALOX15
SCHEMBL7048936 0.74 MAPT (0.40) KMT2APOLBCYP1A2ALOX15ADORA3
SCHEMBL5045978 0.71 GPR84 (0.50) KMT2AHASPINALDH1A1HTTMEN1
SCHEMBL8752016 0.65 NPSR1 (0.36) KMT2APOLBALOX15ALDH1A1
SCHEMBL6135340 0.62 HPGD (0.40) KMT2AHASPINALOX15ADORA3ALDH1A1
SCHEMBL1879639 0.62 KMT2A (0.40) KMT2APOLBALOX15ALDH1A1HTT
SCHEMBL22809469 0.62 HPGD (0.46) KMT2APOLBADORA3MEN1ADORA2A
SCHEMBL61731 0.61 SMN1; SMN2 (0.43) KMT2ASMYD3ALDH1A1MEN1SMN1; SMN2
SCHEMBL482012 0.61 SMN1; SMN2 (0.43) KMT2ASMYD3ALDH1A1MEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed