SCHEMBL11266076

SCHEMBL11266076

CCCCC1CSC(CCCn2ccnc2)(Cc2c(Cl)cc(Cl)cc2Cl)S1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKCI P41743 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11269975 0.92 MAPK1 (0.38) TBXAS1MAPTMAPK1LMNAUSP2
SCHEMBL11266636 0.86 MAPK1 (0.40) MAPTMAPK1LMNAUSP2ALOX15
SCHEMBL11265125 0.86 CYP2A6 (0.39) TBXAS1TP53ALDH1A1
SCHEMBL11264736 0.85 MAPK1 (0.35) MAPTMAPK1LMNAUSP2ALOX15
SCHEMBL11254726 0.84 HMOX1 (0.34) MAPT
SCHEMBL11266452 0.83 MAPK1 (0.41) MAPTMAPK1LMNAUSP2ALOX15
SCHEMBL10781800 0.83 TBXAS1 (0.46) TBXAS1MAPK1LMNAALDH1A1PRKCI
SCHEMBL10783022 0.83 TBXAS1 (0.49) TBXAS1MAPK1LMNAKMT2AMEN1
SCHEMBL10780787 0.82 TBXAS1 (0.51) TBXAS1MAPK1LMNAKMT2AMEN1
SCHEMBL10784444 0.82 TBXAS1 (0.51) TBXAS1MAPK1LMNAKMT2AMEN1

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
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed