SCHEMBL31171346

SCHEMBL31171346

O=C(O)c1ccc(CCNC(=O)c2cnc(Cl)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.46
▸ ESRRB O95718 1/20 0.46
▸ ESRRG P62508 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM5C P41229 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL31171320 0.87 KMT2A (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31171387 0.78 KCNQ3 (0.51) RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL19553775 0.74 POLB (0.43) NPC1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL11191040 0.73 MAPT (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL27625161 0.73 TOP2A (0.44) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL31171370 0.73 NAMPT (0.50) KMT2AMEN1MAPTLMNAESRRB
SCHEMBL19553353 0.73 SIGMAR1 (0.45) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL31171391 0.72 IKBKE (0.51) —
SCHEMBL11304640 0.72 HSD17B10 (0.57) RAB9ASMN1; SMN2MAPTLMNAHSD17B10
SCHEMBL29686444 0.72 LMNA (0.44) RAB9ALMNAL3MBTL1

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-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 — — WO disclosed
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