SCHEMBL6981427

SCHEMBL6981427

[CH2]c1c(C)[nH]c(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ AKT2 P31751 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ MDM2 Q00987 4/20 0.41
▸ BRD4 O60885 4/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3B Q13370 1/20 0.38

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
SCHEMBL19663896 0.77 LMNA (0.50) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL29761171 0.71 LMNA (0.45) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL31567901 0.69 LMNA (0.44) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL7772483 0.69 LMNA (0.70) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL7298629 0.69 LMNA (0.51) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL10921434 0.68 LMNA (0.68) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL9268440 0.68 PDGFRA (0.50) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL9272305 0.68 PDGFRA (0.50) LMNAPDGFRAMAPK8CDK5CLK4
SCHEMBL17383846 0.68 IMPDH2 (0.73) LMNAKMT2APTGS2IMPDH2GAA
SCHEMBL22391489 0.68 MAPT (0.48) LMNAAKT2KMT2ACHEK1BRD4

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-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP claimed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 — — WO claimed
EP-1265870-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES AstraZeneca AB (SE) 2002-12-18 — — EP disclosed
WO-2001066525-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES ASTRAZENECA AB (SE) 2001-09-13 — — WO disclosed
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