SCHEMBL7364564

SCHEMBL7364564

COc1ccc(CNC(=O)c2cc(C#N)ccc2N(CCO)CNC=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NOD2 Q9HC29 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL7368682 0.88 TSHR (0.45) APEX1ALDH1A1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL7361883 0.87 TSHR (0.45) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7390175 0.85 APEX1 (0.47) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7360990 0.82 MEN1 (0.39) APEX1ALDH1A1KMT2AMEN1NOD2
SCHEMBL7386573 0.78 TSHR (0.47) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7391615 0.78 APEX1 (0.46) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7385435 0.78 DRD2 (0.55) APEX1ALDH1A1TSHRMAPK10LMNA
SCHEMBL7362850 0.77 PPARA (0.44) LMNA
SCHEMBL7564483 0.77 APEX1 (0.43) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7564471 0.77 APEX1 (0.43) APEX1ALDH1A1POLBKMT2AMEN1

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