SCHEMBL24124764

SCHEMBL24124764

CN1C(=O)CSc2ccc(C(=O)Nc3ccc([SH](=O)=O)c(Cl)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ MAPK1 P28482 8/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL24125094 0.86 LMNA (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124188 0.85 MAPT (0.62) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25922077 0.83 MAPT (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25921173 0.81 MAPT (0.53) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124823 0.80 MAPT (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25921176 0.80 CNR2 (0.52) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124884 0.80 MAPT (0.64) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24125157 0.79 MAPT (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25920636 0.77 MAPT (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL18618415 0.75 LMNA (0.72) MAPTMEN1KMT2ALMNASMN1; 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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