SCHEMBL11269975

SCHEMBL11269975

CCC1CSC(CCCn2ccnc2)(Cc2c(Cl)cc(Cl)cc2Cl)S1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
TBXAS1 P24557 1/20 0.34
PRKCI P41743 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL11264736 0.94 MAPK1 (0.35) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11266076 0.92 TBXAS1 (0.37) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11266636 0.89 MAPK1 (0.40) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11258724 0.88 ADRA2C (0.34) LMNAUSP2ALOX15ALDH1A1HTT
SCHEMBL11266452 0.86 MAPK1 (0.41) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11267577 0.85 CYP2A6 (0.41) TP53ALDH1A1
SCHEMBL11265755 0.85 CYP11B1 (0.43) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11260920 0.84 LMNA (0.34) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11267726 0.83 MAPK1 (0.39) MAPK1LMNAUSP2ALOX15KMT2A
SCHEMBL11253462 0.83 MAPK1 (0.37) MAPK1LMNAUSP2ALOX15KMT2A

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