SCHEMBL24124195

SCHEMBL24124195

O=C(Nc1ccc(SN2CCCC2)cc1)c1ccc2c(c1)N(c1ccccc1)C(=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 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
SCHEMBL24124258 0.99 MAPT (0.43) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24124782 0.84 MAPT (0.55) MAPTALDH1A1NPC1SMN1; SMN2NPSR1
SCHEMBL24124676 0.84 MAPT (0.55) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24124910 0.82 KDM4E (0.44) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL25922275 0.82 TP53 (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24125006 0.81 ALDH1A1 (0.59) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24124783 0.79 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24124885 0.79 ALDH1A1 (0.52) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24125225 0.77 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24124787 0.75 NPC1 (0.51) MAPTALDH1A1NPC1RAB9AMEN1

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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