SCHEMBL4241625

SCHEMBL4241625

COc1ccc(C2(C#N)CCC(=O)C(C)(C(=O)O)C2)c2ccn(C)c12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 7/20 0.33
▸ PDE4D Q08499 7/20 0.33
▸ PDE4A P27815 6/20 0.33
▸ PDE4C Q08493 6/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL4243417 0.82 FABP4 (0.33) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL4058080 0.82 PDE4A (0.45) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL4241620 0.77 PSEN1 (0.35) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL4515229 0.74 MAOA (0.37) PDE4BLMNAMAPTNPC1RAB9A
SCHEMBL4235315 0.70 PDE4A (0.31) PDE4BPDE4DPDE4APDE4C
SCHEMBL14886437 0.64 MAPT (0.46) MAPTCYP2C9
SCHEMBL13693694 0.60 PDE4A (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL15987332 0.60 NR4A2 (0.42) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL24981842 0.60 F2RL1 (0.40) LMNAMAPTCYP2C9RAB9A
SCHEMBL4230852 0.60 PDE4A (0.45) PDE4BPDE4DPDE4APDE4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
Send feedback