SCHEMBL7448263

SCHEMBL7448263

COc1cc(CNC(=O)c2cc(C#N)ccc2NC(C)(C)CO)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
PDE5A O76074 4/20 0.43
HPGD P15428 2/20 0.42
AKR1B1 P15121 1/20 0.41
APEX1 P27695 2/20 0.40
WDR5 P61964 1/20 0.40
EPHX2 P34913 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL7502173 0.93 PDE5A (0.48) LMNAPDE5AHPGD
SCHEMBL7451626 0.87 ALDH1A1 (0.46) LMNAHPGDEPHX2
SCHEMBL6943689 0.83 LMNA (0.45) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL6943685 0.83 LMNA (0.45) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL7505574 0.82 LMNA (0.43) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL7505566 0.82 LMNA (0.43) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL6941529 0.81 LMNA (0.50) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL7370696 0.80 LMNA (0.45) LMNAPDE5AHPGDAKR1B1APEX1
SCHEMBL7404538 0.79 PDE5A (0.51) LMNAPDE5AWDR5
SCHEMBL7404535 0.79 PDE5A (0.51) LMNAPDE5AWDR5

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-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed