SCHEMBL9020975

SCHEMBL9020975

CCCCCCSCc1ccc(NC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
ALOX12 P18054 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
THRB P10828 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
SPHK1 Q9NYA1 6/20 0.35
HSP90AA1 P07900 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL11598302 0.83 LMNA (0.40) LMNAMAPTALOX12TP53SMN1; SMN2
SCHEMBL11600611 0.83 LMNA (0.40) LMNAMAPTALOX12TP53SMN1; SMN2
SCHEMBL6075249 0.83 ESR1 (0.42) LMNAMAPTTP53ALDH1A1CYP3A4
SCHEMBL29388293 0.83 ESR1 (0.42) LMNAMAPTTP53ALDH1A1CYP3A4
SCHEMBL11600628 0.82 ALDH1A1 (0.51) LMNAMAPTALOX12TP53SMN1; SMN2
SCHEMBL11598499 0.82 ALDH1A1 (0.51) LMNAMAPTALOX12TP53SMN1; SMN2
SCHEMBL8999593 0.81 TYR (0.41) LMNAMAPTALOX12TP53SMN1; SMN2
SCHEMBL24003140 0.80 TDP1 (0.43) LMNAALOX12TP53SMN1; SMN2TDP1
SCHEMBL24776199 0.76 SPHK1 (0.50) LMNATP53SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10178491 0.76 HTR2A (0.39) LMNAMAPTALOX12TP53SMN1; 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-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed