SCHEMBL1852376

SCHEMBL1852376

CC(C(=O)O)(c1ccccc1)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 6/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SRC P12931 2/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CSK P41240 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ PRKD1 Q15139 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ CAMK2A Q9UQM7 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ LMNA P02545 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
SCHEMBL1847687 0.82 CMA1 (0.64) CMA1LMNATSHR
SCHEMBL6115028 0.75 CMA1 (1.00) CMA1LMNAHPGDTSHR
SCHEMBL6115916 0.73 CMA1 (0.81) CMA1SMN1; SMN2P2RX3LMNAHPGD
SCHEMBL6115031 0.72 CMA1 (0.61) CMA1SMN1; SMN2P2RX3LMNAHPGD
SCHEMBL18900851 0.72 CMA1 (0.72) CMA1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL7960570 0.71 CMA1 (1.00) CMA1SMN1; SMN2SRCABL1P2RX3
SCHEMBL1851671 0.70 CMA1 (1.00) CMA1SMN1; SMN2SRCABL1P2RX3
SCHEMBL18900937 0.70 CMA1 (0.73) CMA1SMN1; SMN2SRCABL1P2RX3
SCHEMBL7962647 0.70 CMA1 (0.78) CMA1SMN1; SMN2SRCABL1P2RX3
SCHEMBL7963507 0.69 CMA1 (0.73) CMA1SMN1; SMN2LMNAHPGDTSHR

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
EP-2323991-A2 CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
Send feedback