SCHEMBL19677201

SCHEMBL19677201

COc1ccc(C)c(SC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL11986291 0.78 POLB (0.46) MEN1ALDH1A1KMT2ACA12CA1
SCHEMBL16153836 0.78 POLB (0.46) MEN1ALDH1A1KMT2ACA12CA1
SCHEMBL10297510 0.75 LMNA (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL25122311 0.73 CYP1A2 (0.44) MEN1ALDH1A1KMT2ACA12CA1
SCHEMBL8147035 0.73 CA12 (0.38) MEN1ALDH1A1KMT2ACA12CA1
SCHEMBL14866257 0.73 MAPT (0.48) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL470962 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL23050060 0.72 LMNA (0.52) ALDH1A1SMN1; SMN2ACHEGAA
SCHEMBL14731548 0.72 HTR2A (0.40) MEN1KMT2ARAB9AACHEGAA
SCHEMBL30663814 0.71 TSHR (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2TP53

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-3251679-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER Mitsubishi Tanabe Pharma Corporation (JP) 2017-12-06 EP disclosed