SCHEMBL9770726

SCHEMBL9770726

COC(=O)c1ccc2c(=O)n3ccsc3nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
RXFP1 Q9HBX9 2/20 0.56
USP2 O75604 1/20 0.56
KDM4E B2RXH2 6/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PABPC1 P11940 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL13404827 0.83 HPGD (0.52) ALDH1A1RXFP1USP2KDM4EHPGD
SCHEMBL3590768 0.81 SMN1; SMN2 (0.52) ALDH1A1RXFP1USP2KDM4EHPGD
SCHEMBL10695873 0.81 SMN1; SMN2 (0.44) ALDH1A1RXFP1USP2KDM4EHPGD
SCHEMBL9770730 0.79 TDP1 (0.50) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2118762 0.74 ALDH1A1 (0.55) ALDH1A1RXFP1KDM4EHPGDHSD17B10
SCHEMBL28345289 0.73 CYP1A2 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2117475 0.73 ALDH1A1 (0.54) ALDH1A1RXFP1KDM4EHPGDHSD17B10
SCHEMBL28345889 0.72 MAPT (0.49) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL823436 0.72 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25287570 0.70 LCK (0.55) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed