SCHEMBL7447106

SCHEMBL7447106

CC(=O)O[C@H](C)Cn1c(=O)[nH]c2cc(C#N)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
USP1 O94782 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDE9A O76083 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
B3GNT2 Q9NY97 1/20 0.32
PTGER4 P35408 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
IRAK4 Q9NWZ3 7/20 0.31
MTOR P42345 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
SCHEMBL7456604 0.80 PDE4B (0.40) PDE4BMEN1LMNAKMT2AB3GNT2
SCHEMBL7187300 0.76 PDE4B (0.48) PDE4BUSP1TNKSTNKS2MEN1
SCHEMBL7191729 0.69 TNKS (0.54) PDE4BTNKSTNKS2
SCHEMBL7191736 0.69 TNKS (0.54) PDE4BTNKSTNKS2
SCHEMBL7182072 0.65 TNKS (0.57) TNKSTNKS2MTOR
SCHEMBL7182076 0.65 TNKS (0.57) TNKSTNKS2MTOR
SCHEMBL16456358 0.62 TNKS (0.60) TNKSTNKS2
SCHEMBL25092979 0.61 MAOB (0.47) PDE4BKDM4EALDH1A1USP1MEN1
SCHEMBL7187351 0.60 PGR (0.38) PDE4BTNKSTNKS2
SCHEMBL7185221 0.60 POLB (0.44) KDM4EALDH1A1HPGDMEN1LMNA

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-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed