SCHEMBL24124174

SCHEMBL24124174

CN(c1ccccc1)[S+]([O-])c1cccc(NC(=O)c2ccc(S)c(N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 4/20 0.45
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KCNK9 Q9NPC2 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL24124182 0.87 KCNK3 (0.40) KCNK3KMT2APOLBHTTSMN1; SMN2
SCHEMBL24124923 0.79 KMT2A (0.51) KCNK3KMT2APOLBHTTKCNK9
SCHEMBL24124178 0.77 HDAC3 (0.54) KCNK3KMT2APOLBMEN1HDAC3
SCHEMBL24124948 0.74 HDAC1 (0.44) KMT2APOLBALDH1A1LMNAMEN1
SCHEMBL24247784 0.72 KMT2A (0.43) KCNK3KMT2APOLBHTTSMN1; SMN2
SCHEMBL24124189 0.70 HDAC8 (0.54) KCNK3KMT2AKCNK9HDAC3HDAC1
SCHEMBL24124876 0.68 GPR27 (0.67) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL24124180 0.68 NR1H4 (0.68) KMT2APOLBSMN1; SMN2MAPK1LMNA
SCHEMBL24124921 0.68 KMT2A (0.50) KCNK3KMT2ASMN1; SMN2LMNAKCNK9
SCHEMBL2969962 0.67 MAPK14 (0.59) KCNK3KMT2ASMN1; SMN2ALDH1A1MAPK1

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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