SCHEMBL12468485

SCHEMBL12468485

CC1(C)COC(c2cccs2)OC1.[SnH]c1cc[c]s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL12468470 0.80 GAA (0.31) LMNAGAAPKMSMN1; SMN2HTT
SCHEMBL12468482 0.76
SCHEMBL2041571 0.68 KDM4E (0.42) GAASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL11280178 0.67 MAPT (0.35) LMNAGAAPKMSMN1; SMN2MEN1
SCHEMBL11279009 0.67 MAPK1 (0.39) LMNAGAAPKMSMN1; SMN2MAPT
SCHEMBL12619945 0.65 SMN1; SMN2 (0.48) LMNAGAAPKMSMN1; SMN2MEN1
SCHEMBL12377098 0.63 SOAT1 (0.33) SMN1; SMN2
SCHEMBL28919941 0.62 ALDH1A1 (0.39) LMNAGAAPKMSMN1; SMN2MEN1
SCHEMBL25831015 0.60 MEN1 (0.35) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7032930 0.60 KCNA4 (0.60) LMNAGAAPKMSMN1; SMN2MEN1

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
WO-2012049167-A1 NOVEL OLIGOTHIOPHENE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USES UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2012-04-19 WO disclosed