SCHEMBL8932429

SCHEMBL8932429

COc1ccc(CSC2CN=C(Nc3nccs3)NC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.37
PTGIR P43119 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
KCNA5 P22460 1/20 0.35

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
SCHEMBL8932561 0.71 APP (0.36) PKMNPC1RAB9ALMNATP53
SCHEMBL8932465 0.70 NPC1 (0.40) PKMNPC1RAB9ALMNATP53
SCHEMBL8932491 0.70 LMNA (0.39) GAALMNATP53TSHRSMN1; SMN2
SCHEMBL9201486 0.67 MAPT (0.39) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL8932546 0.67 CRBN (0.44) LMNA
SCHEMBL8932409 0.67 APP (0.42) GAATP53TSHRSMN1; SMN2CYP3A4
SCHEMBL899315 0.66 SMN1; SMN2 (0.64) PKMNPC1RAB9AMGAMGAA
SCHEMBL8932416 0.66 OPRK1 (0.37) PKMNPC1RAB9ALMNATP53
SCHEMBL15011086 0.66 SMN1; SMN2 (0.66) PKMNPC1RAB9AMGAMGAA
SCHEMBL9202656 0.65 TSHR (0.46) GAALMNATSHRKMT2AMEN1

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed