SCHEMBL15219074

SCHEMBL15219074

CCC(C)[S@+]([O-])C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 7/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ FFAR2 O15552 1/20 0.45
▸ LMNA P02545 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL14222564 1.00 ATAD2 (0.46) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL13842705 0.81 ATAD2 (0.48) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL13842701 0.77 ATAD2 (0.44) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL21791799 0.75 ATAD2 (0.56) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL766882 0.75 KMT2A (0.49) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL14222712 0.75 CNR2 (0.52) ALDH1A1
SCHEMBL77451 0.74 ATAD2 (0.61) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL14319141 0.74 NPC1 (0.48) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1621065 0.74 NPC1 (0.53) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL21164487 0.73 ATAD2 (0.53) ATAD2ALDH1A1SMN1; SMN2HPGDKMT2A

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-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 — — EP disclosed
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