SCHEMBL11548746

SCHEMBL11548746

CC(=O)CC(=O)Nc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.54
▸ LRRK2 Q5S007 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ BRD4 O60885 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ERCC1 P07992 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ ERCC4 Q92889 2/20 0.44
▸ DNASE1 P24855 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL10386027 0.89 NLRP3 (0.51) PSMB8ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL11551548 0.84 KDM4E (0.54) PSMB8ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL13015583 0.79 ADORA3 (0.51) PSMB8LRRK2ALDH1A1KDM4EMEN1
SCHEMBL27056782 0.78 PSMB8 (0.51) PSMB8LRRK2SMN1; SMN2LMNABRD4
SCHEMBL11545418 0.77 SMN1; SMN2 (0.74) ALDH1A1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL12207033 0.76 PSMB8 (0.49) PSMB8LRRK2ALDH1A1LMNABRD4
SCHEMBL10386822 0.76 KDM4E (0.57) ALDH1A1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL12361997 0.76 LMNA (0.53) PSMB8LRRK2MEN1KMT2ALMNA
SCHEMBL9508666 0.76 MAPT (0.57) ALDH1A1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL1152724 0.76 MAPT (0.61) ALDH1A1KDM4EMEN1KMT2ALMNA

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
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 — — US disclosed
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