SCHEMBL24006368

SCHEMBL24006368

CNc1cc(N(CC(=O)OC)CC(=O)OC)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
MLYCD O95822 2/20 0.38
GFER P55789 1/20 0.37
RAB9A P51151 1/20 0.36
PRKCI P41743 1/20 0.36
S100B P04271 1/20 0.35
HDAC1 Q13547 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL22474129 0.86 HDAC1 (0.47) ALDH1A1MAPTGAATSHRMLYCD
SCHEMBL18951543 0.80 HDAC1 (0.44) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL18951489 0.79 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL22474125 0.76 ALDH1A1 (0.48) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL19980980 0.76 S100B (0.37) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL18951554 0.74 KDM4E (0.39) ALDH1A1MAPTKDM4EGAAGFER
SCHEMBL20886085 0.74 HDAC1 (0.44) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL9164559 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EGAAGFERRAB9A
SCHEMBL18951580 0.73 HDAC1 (0.46) ALDH1A1MAPTGAATSHRGFER
SCHEMBL24006345 0.72 HDAC1 (0.45) ALDH1A1MAPTKDM4EGAAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715423-B1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DYSTAR COLOURS DISTRIB GMBH (DE) 2022-05-11 EP disclosed
EP-3692102-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2021-11-10 EP disclosed