SCHEMBL24124243

SCHEMBL24124243

O=C(Nc1cccc(S)c1)c1ccc2c(c1)CCCS2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ TOP1 P11387 1/20 0.41
▸ TP53 P04637 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAOB P27338 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
SCHEMBL24124786 0.86 KMT2A (0.46) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL24124211 0.86 NPC1 (0.34) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL24124872 0.81 RAB9A (0.46) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL24124166 0.80 HDAC8 (0.48) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL8460319 0.80 MEN1 (0.52) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL24125211 0.80 MAPT (0.43) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL24124175 0.79 USP7 (0.52) RAB9AMAPTKDM4EHTTGAA
SCHEMBL24124799 0.79 MAPT (0.60) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL24124212 0.78 MAPT (0.61) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL9147195 0.77 MEN1 (0.51) NPC1RAB9AKMT2AMAPTKDM4E

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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