SCHEMBL20123632

SCHEMBL20123632

Cc1cccc2c1CSc1c(C)cccc1C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL20123824 0.86 MEN1 (0.34) MEN1KMT2ANPC1LMNATP53
SCHEMBL20123727 0.86 ACHE (0.35) MEN1KMT2ANPC1LMNATP53
SCHEMBL20123649 0.86 ACHE (0.35) MEN1KMT2ANPC1LMNATP53
SCHEMBL20123600 0.86 ADRA2A (0.33) MEN1KMT2ANPC1LMNATP53
SCHEMBL20014747 0.83 KMT2A (0.41) MEN1KMT2ANPC1LMNATP53
SCHEMBL20123682 0.82 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL21183807 0.82 CXCR5 (0.33) MEN1KMT2A
SCHEMBL20014517 0.80 MEN1 (0.43) MEN1KMT2ANPC1LMNATP53
SCHEMBL6904839 0.73 PARP1 (0.38) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL1192279 0.71 DRD2 (0.41) MEN1KMT2ASMN1; SMN2CA1CA2

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed