SCHEMBL31604837

SCHEMBL31604837

Cc1ccc(S(=O)(=O)NN=Cc2ccc3oc(C)c(C(=O)O)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.52
▸ MEN1 O00255 11/20 0.52
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 8/20 0.49
▸ LMNA P02545 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ BCL2L1 Q07817 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PAX8 Q06710 2/20 0.48
▸ RECQL P46063 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47

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
SCHEMBL31604889 0.87 POLB (0.55) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3501416 0.78 MEN1 (0.82) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL31615474 0.76 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL12807419 0.75 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10029446 0.75 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL25063711 0.74 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL28090820 0.74 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL28665881 0.71 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL28665880 0.71 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6633587 0.71 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPTLMNA

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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