SCHEMBL11545396

SCHEMBL11545396

CC(=O)CC(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.74
PARP10 Q53GL7 10/20 0.74
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
PARP15 Q460N3 5/20 0.57
PARP14 Q460N5 4/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3646401 0.87 MEN1 (0.73) PARP1PARP10KMT2AMEN1PARP15
SCHEMBL2562988 0.85 SMN1; SMN2 (0.59) PARP1PARP10KMT2AMEN1ALDH1A1
SCHEMBL30716404 0.85 KMT2A (0.71) PARP1PARP10KMT2AMEN1PARP14
SCHEMBL5524698 0.85 KMT2A (0.71) PARP1PARP10KMT2AMEN1PARP14
SCHEMBL18671651 0.85 KMT2A (0.87) PARP1PARP10KMT2AMEN1PARP15
SCHEMBL8752439 0.84 MEN1 (0.66) PARP1PARP10KMT2AMEN1ALDH1A1
SCHEMBL17933240 0.83 MEN1 (0.57) PARP1PARP10KMT2AMEN1ALDH1A1
SCHEMBL14567079 0.83 KMT2A (0.88) PARP1PARP10KMT2AMEN1PARP15
SCHEMBL895009 0.83 PARP1 (0.63) PARP1PARP10KMT2AMEN1PARP15
SCHEMBL29761319 0.83 PARP1 (0.63) PARP1PARP10KMT2AMEN1PARP15

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