SCHEMBL9379792

SCHEMBL9379792

COC(=O)CCSc1cc(C(=O)OC)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ PRNP P04156 5/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RXFP1 Q9HBX9 5/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPK10 P53779 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 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
SCHEMBL22303101 0.77 RXFP1 (0.52) MAPTKMT2AKDM4EPOLBPRNP
SCHEMBL9380982 0.77 RXFP1 (0.53) MAPTKMT2AKDM4EPOLBPRNP
SCHEMBL9379922 0.77 ALOX15 (0.52) KMT2AKDM4EALOX15USP2ALDH1A1
SCHEMBL9381350 0.73 ALOX15 (0.55) MAPTKMT2AKDM4EPOLBMAPK1
SCHEMBL2116085 0.73 CYP1A2 (0.54) MAPTKMT2AKDM4EPOLBRXFP1
SCHEMBL72379 0.73 KDM4E (0.70) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL561686 0.73 KDM4E (0.54) MAPTKMT2AKDM4EPOLBTSHR
SCHEMBL2467305 0.73 ALDH1A1 (0.65) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL31389316 0.73 KDM4E (0.54) MAPTKMT2AKDM4EPOLBTSHR
SCHEMBL943064 0.72 ALDH1A1 (0.71) KDM4EPRNPL3MBTL1RXFP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
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