SCHEMBL2637786

SCHEMBL2637786

CC(=O)Nc1c(=O)[nH]n2c(=O)cc(C3CCCC3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDF2 Q9Y5A9 1/20 0.37
PIK3CB P42338 1/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
LDHA P00338 1/20 0.34
DAO P14920 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30

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
SCHEMBL2637746 0.75 YTHDF2 (0.40) YTHDF2PIK3CBKDM5AKDM5BKDM4A
SCHEMBL2637787 0.73 PLAT (0.42) PIK3CBKDM4EALDH1A1MAPTHPGD
SCHEMBL2637509 0.68 HSP90AA1 (0.44) KDM5AKDM5BKDM4AKDM4CLDHA
SCHEMBL9414195 0.61 YTHDF2 (0.83) YTHDF2CYP2C9LDHADAOALDH1A1
SCHEMBL27768491 0.59 YTHDF2 (0.58) YTHDF2CYP2C9LDHADAOKDM4E
SCHEMBL18778963 0.57 SPR (0.41) ALDH1A1POLBMAPT
SCHEMBL795977 0.57 DAO (0.46) YTHDF2KDM5AKDM5BDAOKDM4E
SCHEMBL20075888 0.55 YTHDF2 (0.42) YTHDF2KDM5AKDM5BKDM4AKDM4C
SCHEMBL9414252 0.55 YTHDF2 (1.00) YTHDF2KDM4CDAOKDM4EALDH1A1
SCHEMBL20075886 0.55 NPY5R (0.42) YTHDF2LDHADAOPOLB

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
EP-2438070-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed