SCHEMBL18900834

SCHEMBL18900834

C=C(C)c1c(Cc2nn(C(CCC)C(=O)OCC)c(=O)c3ccccc23)cn(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 9/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL18900833 0.90 CMA1 (0.55) CMA1SMN1; SMN2RECQLL3MBTL1MAPT
SCHEMBL7961041 0.84 CMA1 (0.80) CMA1SMN1; SMN2RECQLL3MBTL1MAPT
SCHEMBL1849731 0.81 CMA1 (0.79) CMA1SMN1; SMN2RECQLL3MBTL1MAPT
SCHEMBL7960485 0.81 CMA1 (0.84) CMA1SMN1; SMN2RECQLL3MBTL1MAPT
SCHEMBL7960524 0.74 CMA1 (1.00) CMA1POLB
SCHEMBL7951279 0.71 CMA1 (1.00) CMA1
SCHEMBL1851671 0.70 CMA1 (1.00) CMA1SMN1; SMN2POLB
SCHEMBL1851876 0.68 CMA1 (0.83) CMA1SMN1; SMN2L3MBTL1MAPTCYP1A2
SCHEMBL18900835 0.67 CMA1 (0.74) CMA1POLB
SCHEMBL1850267 0.67 CMA1 (0.61) CMA1SMN1; SMN2POLB

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-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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