SCHEMBL24152340

SCHEMBL24152340

O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2/C1=C\c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PAK1 Q13153 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ YES1 P07947 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL24153266 0.93 NPC1 (0.45) ALDH1A1AURKAAURKBPOLBLMNA
SCHEMBL24152342 0.92 NPC1 (0.46) ALDH1A1AURKAAURKBPOLBLMNA
SCHEMBL24151550 0.85 GAA (0.52) POLBKMT2AMEN1GAA
SCHEMBL24153254 0.84 TLK2 (0.44) ALDH1A1POLBKMT2AMEN1TDP1
SCHEMBL24153211 0.82 JAK3 (0.44) POLBLMNAKMT2AMEN1GAA
SCHEMBL24152341 0.82 NPC1 (0.46) GAA
SCHEMBL24151582 0.80 PDPK1 (0.43) ALDH1A1SRC
SCHEMBL24152827 0.80 PRKDC (0.41) PKMGAA
SCHEMBL24152475 0.79 EGFR (0.53) ALDH1A1AURKAAURKBKMT2AMEN1
SCHEMBL24152344 0.79 KMT2A (0.52) KMT2A

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-2021260722-A1 DESIGN, SYNTHESIS OF NOVEL OXYINDOLE INHIBITORS OF DENV RNA DEPENDENT RNA POLYMERASE TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2021-12-30 — — WO disclosed
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