SCHEMBL949763

SCHEMBL949763

COC(=O)c1n[nH]cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 1/20 0.53
GAA P10253 1/20 0.49
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
KDM4E B2RXH2 4/20 0.47
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 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
SCHEMBL22310233 0.84 SLC6A4 (0.53) SMN1; SMN2HTTGAAKDM4ESTAT3
SCHEMBL28180305 0.84 SLC6A3 (0.51) SMN1; SMN2HTTKDM4ESTAT3HIF1A
SCHEMBL28048741 0.83 ALDH1A1 (0.54) SMN1; SMN2HTTGAAALDH1A1HSD17B10
SCHEMBL9586577 0.83 KDM4E (0.51) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL948199 0.82 KDM4E (0.50) SMN1; SMN2HTTERCC1FEN1ERCC4
SCHEMBL28191526 0.82 MAPT (0.56) SMN1; SMN2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL27849366 0.82 NR4A2 (0.42) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL3652340 0.80 PTPN1 (0.42) SMN1; SMN2LMNA
SCHEMBL15051421 0.80 GAA (0.49) SMN1; SMN2HTTGAAKDM4ESTAT3
SCHEMBL954343 0.79 BCAT2 (0.47) SMN1; SMN2KDM4EALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554103-A Phenylpyrazoles and application thereof 浙江大学 2023-08-08 CN disclosed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN disclosed
EP-3885346-A1 AMINOPYRIMIDINE COMPOUND USED FOR INHIBITING ACTIVITY OF PROTEIN KINASE Shenzhen TargetRx, Inc. (CN) 2021-09-29 EP disclosed
WO-2020125391-A1 AMINOPYRIMIDINE COMPOUND USED FOR INHIBITING ACTIVITY OF PROTEIN KINASE 深圳市塔吉瑞生物医药有限公司 2020-06-25 WO disclosed
EP-2451450-B1 Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections PASTEUR INSTITUT (FR) 2014-07-02 EP disclosed
EP-2451450-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES Institut Pasteur (FR) 2012-05-16 EP disclosed
WO-2011004323-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES INSTITUT PASTEUR (FR) 2011-01-13 WO disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 EP disclosed