SCHEMBL2462138

SCHEMBL2462138

CC(C)Cn1c2c(c(=O)[nH]c1=O)NCN2C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DAO P14920 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ B3GNT2 Q9NY97 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31

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
SCHEMBL11026230 0.76 KDM4E (0.34) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL1945331 0.65 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL20865055 0.65 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL19987789 0.62 EPHX2 (0.30) —
SCHEMBL3604453 0.62 MAPT (0.30) MAPT
SCHEMBL6028175 0.61 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11293666 0.61 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7559507 0.60 TYMP (0.37) —
SCHEMBL1063543 0.60 ADORA2A (0.40) MEN1KMT2ALMNA
SCHEMBL2462137 0.60 PDE4A (0.69) KDM4EALDH1A1MEN1KMT2ANPSR1

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
WO-2009106047-A1 METHOD FOR DETERMINING THE THROMBOCYTE FUNCTION OF THE BLOOD VDG-VON DER GOLTZ GMBH (DE) 2009-09-03 — — WO claimed
EP-2552471-A1 NOVEL PEPTIDES AND METHODS FOR THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 2013-02-06 — — EP disclosed
WO-2011119657-A1 NOVEL PEPTIDES AND METHODS FOR THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 2011-09-29 — — WO disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 — — WO disclosed
Send feedback