SCHEMBL9370523

SCHEMBL9370523

COC(=O)Oc1cc(-c2ccc(N)c(OC(=O)OC)c2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 5/20 0.57
CYP3A4 P08684 3/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
KDM4E B2RXH2 7/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 4/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL9642278 0.82 KDM4E (0.56) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL9195865 0.82 ABL1 (0.51) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL8681017 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL9365080 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL10940102 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP3A4TSHRKDM4E
Diacetamide SCHEMBL5081802 0.81 CFD (0.47) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL376800 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL1954453 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL9635994 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4TSHRTDP1
SCHEMBL11205466 0.78 HTT (0.66) ALDH1A1CYP3A4TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed