SCHEMBL11544217

SCHEMBL11544217

CCN(C(=O)c1ccc(NC(=O)CC(C)=O)cc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.78
MAPT P10636 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 6/20 0.53
ADRB2 P07550 1/20 0.53
HTT P42858 2/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.48
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11545988 0.86 HPGD (0.57) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL11550738 0.85 HTT (0.73) HPGDMAPTMEN1KMT2AALDH1A1
Diethylaniline SCHEMBL19065190 0.80 MAPT (0.66) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1006444 0.79 HTT (0.71) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL18275041 0.78 RORC (0.66) HPGD
SCHEMBL4008336 0.77 HPGD (0.59) HPGDMAPTKMT2AALDH1A1ADRB2
SCHEMBL9809224 0.76 HPGD (0.66) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL28652943 0.76 MAPT (0.70) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL14914 0.75 MAPT (0.85) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL9121361 0.75 MAPT (0.85) MAPTMEN1KMT2AALDH1A1HTT

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