SCHEMBL7368682

SCHEMBL7368682

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
APEX1 P27695 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NOD2 Q9HC29 1/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL7361883 0.99 TSHR (0.45) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7390175 0.88 APEX1 (0.47) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7364564 0.88 APEX1 (0.42) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7360990 0.85 MEN1 (0.39) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7386573 0.85 TSHR (0.47) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7388315 0.83 GABRP (0.49) APEX1ALDH1A1KMT2AMEN1NOD2
SCHEMBL7391615 0.81 APEX1 (0.46) TSHRMAPK10APEX1ALDH1A1KMT2A
SCHEMBL7385435 0.81 DRD2 (0.55) TSHRMAPK10APEX1ALDH1A1LMNA
SCHEMBL7366901 0.79 MCHR1 (0.39) TSHRMAPK10APEX1ALDH1A1LMNA
SCHEMBL7371272 0.78 PDE5A (0.47) LMNA

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