SCHEMBL7366901

SCHEMBL7366901

CCN(CO)c1ccc(C#N)cc1C(=O)NCc1ccc(OC)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK10 P53779 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
LMNA P02545 5/20 0.39
PDE5A O76074 1/20 0.38
HPGD P15428 2/20 0.38
AKR1B1 P15121 1/20 0.38
PTGER1 P34995 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7360990 0.92 MEN1 (0.39) MCHR1APEX1MAPK10ROCK2ROCK1
SCHEMBL7370696 0.88 LMNA (0.45) MCHR1APEX1LMNAPDE5AHPGD
SCHEMBL7371272 0.83 PDE5A (0.47) LMNAPDE5AHPGD
SCHEMBL7366361 0.81 LMNA (0.44) APEX1ROCK2ROCK1LMNAHPGD
SCHEMBL7361602 0.79 PPARA (0.48) LMNA
SCHEMBL7368682 0.79 TSHR (0.45) APEX1MAPK10LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL7361883 0.78 TSHR (0.45) APEX1MAPK10LMNAALDH1A1TSHR
SCHEMBL7390175 0.77 APEX1 (0.47) APEX1MAPK10LMNAALDH1A1TSHR
SCHEMBL7364564 0.76 APEX1 (0.42) APEX1MAPK10LMNAALDH1A1TSHR
SCHEMBL7391615 0.74 APEX1 (0.46) APEX1MAPK10LMNAALDH1A1TSHR

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