SCHEMBL11580700

SCHEMBL11580700

Cc1sc2ncc(C(=O)O)c(O)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NOTUM Q6P988 5/20 0.43
CSNK2A2 P19784 4/20 0.43
CSNK2B P67870 4/20 0.43
CSNK2A1 P68400 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PDPK1 O15530 1/20 0.41
LIMK1 P53667 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11579433 0.84 BCAT2 (0.35) PRNPNPSR1RXFP1NOTUMCSNK2A2
SCHEMBL11579764 0.84 NOTUM (0.46) PRNPNPSR1RXFP1NOTUMALDH1A1
SCHEMBL11578788 0.84 NOTUM (0.46) PRNPNPSR1RXFP1NOTUMALDH1A1
SCHEMBL11578914 0.82 NOTUM (0.49) PRNPNPSR1RXFP1NOTUMCSNK2A2
SCHEMBL11581714 0.81 KDM4E (0.48) PRNPALDH1A1LMNA
SCHEMBL11554443 0.80 CSNK2A2 (0.54) PRNPNPSR1RXFP1CSNK2A2CSNK2B
SCHEMBL1898735 0.74 GABRP (0.40) ALDH1A1LIMK1L3MBTL1LMNA
SCHEMBL11580716 0.73 MCL1 (0.47) NOTUMALDH1A1
SCHEMBL7519571 0.73 LIMK1 (0.49) NPSR1ALDH1A1LIMK1L3MBTL1
SCHEMBL6749806 0.72 KDM4E (0.41) ALDH1A1LMNAHTT

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
US-4079060-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-03-14 US disclosed
US-3951989-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-20 US disclosed