SCHEMBL24125019

SCHEMBL24125019

O=C(Nc1ccc(SNc2ccccc2)cc1)c1ccc2c(c1)CCCS2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8460319 0.83 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL24125170 0.82 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL25921185 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL24124316 0.80 GPR27 (0.59) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL24124786 0.79 KMT2A (0.46) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9147195 0.79 MEN1 (0.51) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL24125078 0.79 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL24124857 0.77 AVPR2 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL24124937 0.77 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL24124243 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 — — WO disclosed
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