SCHEMBL24124786

SCHEMBL24124786

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NPC1 O15118 9/20 0.45
▸ RAB9A P51151 9/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ TP53 P04637 4/20 0.42
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40

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 0.88 MEN1 (0.52) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24124243 0.86 NPC1 (0.50) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL9147195 0.85 MEN1 (0.51) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24124872 0.84 RAB9A (0.46) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24125211 0.83 MAPT (0.43) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL25921185 0.79 MAPT (0.46) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24125019 0.79 NPC1 (0.42) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24124316 0.79 GPR27 (0.59) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL9140339 0.78 MAPT (0.58) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL24125078 0.78 MAPT (0.43) KMT2AMEN1RXFP1NPC1RAB9A

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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