SCHEMBL11575236

SCHEMBL11575236

CC(=O)CC(=O)Nc1cc(C)c(C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 7/20 0.45
HTT P42858 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2909396 0.96 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2912069 0.85 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11575861 0.83 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7139135 0.83 MAPT (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2911518 0.83 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL18407133 0.82 MAPT (0.45) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2911528 0.80 KDM4E (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11232605 0.80 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8995821 0.79 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL295936 0.79 KMT2A (0.83) MEN1KMT2AMAPTALDH1A1HTT

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