SCHEMBL24124258

SCHEMBL24124258

O=C(Nc1ccc(SN2CCCCC2)cc1)c1ccc2c(c1)N(c1ccccc1)C(=O)CS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL24124195 0.99 MAPT (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24124782 0.85 MAPT (0.55) MAPTALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL24124676 0.85 MAPT (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24124910 0.83 KDM4E (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25922275 0.83 TP53 (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24125006 0.83 ALDH1A1 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24124885 0.80 ALDH1A1 (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24125225 0.78 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24124783 0.78 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24124787 0.76 NPC1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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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