SCHEMBL16900708

SCHEMBL16900708

CC(O)(O)c1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)co2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ DHODH Q02127 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ENPP3 O14638 4/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AHR P35869 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34

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
SCHEMBL19131714 0.79 ENPP3 (0.54) HSD17B1HSD17B2DHODHMAPTENPP3
SCHEMBL1505256 0.79 ALDH1A1 (0.51) HSD17B1HSD17B2DHODHMAPTLMNA
SCHEMBL7040199 0.74 IRAK4 (0.44) HSD17B1HSD17B2MAPTENPP3ENPP1
Bromide SCHEMBL6830026 0.73 IRAK4 (0.43) HSD17B1HSD17B2MAPTENPP3ENPP1
Bromide SCHEMBL6833472 0.72 CHKA (0.49) HSD17B1HSD17B2DHODHENPP3ENPP1
SCHEMBL17920867 0.68 ENPP3 (0.51) HSD17B1HSD17B2ENPP3ENPP1ALDH1A1
SCHEMBL7042116 0.67 LTA4H (0.48) DHODHMAPTPOLBLMNARXFP1
SCHEMBL19732440 0.66 ENPP3 (0.46) HSD17B1HSD17B2ENPP3ENPP1KDM4E
Bromide SCHEMBL6830040 0.66 LTA4H (0.47) DHODHMAPTPOLBLMNARXFP1
SCHEMBL7221666 0.65 ALDH1A1 (0.58) HSD17B1HSD17B2KDM4EALDH1A1NR4A2

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
EP-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 — — EP disclosed
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