SCHEMBL23566402

SCHEMBL23566402

CC(C)(C)OC(=O)NCC(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HTT P42858 4/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAP2K2 P36507 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CLCN2 P51788 1/20 0.41

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
SCHEMBL23566418 0.89 KDM4E (0.51) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL4669212 0.86 DHODH (0.51) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL28099069 0.81 KDM4E (0.50) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL23566408 0.80 MAPK1 (0.52) DHODHHTTRAB9ALMNAALDH1A1
SCHEMBL7837545 0.78 DHODH (0.49) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL23566381 0.78 CTSS (0.48) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL23566383 0.78 CTSS (0.48) DHODHMEN1KMT2AHTTRAB9A
SCHEMBL16767712 0.77 NAMPT (0.45) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL23976267 0.77 GAA (0.56) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL23566389 0.77 CTSS (0.53) MEN1KMT2AHTTRAB9ANPC1

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
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 — — EP disclosed
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