SCHEMBL11545418

SCHEMBL11545418

CC(=O)CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ HTT P42858 1/20 0.74
▸ TP53 P04637 2/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ GAA P10253 1/20 0.61
▸ PKM P14618 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ BIRC2 Q13490 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ BRD4 O60885 2/20 0.54
▸ BRPF1 P55201 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL11546804 0.79 KDM4E (0.62) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL11548746 0.77 PSMB8 (0.54) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL10386027 0.77 NLRP3 (0.51) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL25735906 0.76 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL18460677 0.75 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL593172 0.74 MAPT (0.74) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL15474185 0.74 XIAP (1.00) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL27256654 0.73 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL26280117 0.72 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL1119999 0.72 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1LMNAHTTTP53

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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