SCHEMBL24124188

SCHEMBL24124188

CN1C(=O)CSc2ccc(C(=O)Nc3ccc([SH](=O)=O)cc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ LMNA P02545 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ HTT P42858 4/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ OPRD1 P41143 1/20 0.58
▸ MAPK1 P28482 8/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ PPARG P37231 1/20 0.51

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
SCHEMBL24124884 0.87 MAPT (0.64) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124764 0.85 MAPT (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25920636 0.84 MAPT (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24125094 0.81 LMNA (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL18618415 0.80 LMNA (0.72) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124264 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124898 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124186 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24124676 0.80 MAPT (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30270587 0.79 CYP1A2 (0.58) 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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