SCHEMBL19964841

SCHEMBL19964841

CC(C)(C)OC(=O)NCc1cc2ccncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ NR3C1 P04150 9/20 0.43
▸ NR3C2 P08235 7/20 0.43
▸ PGR P06401 5/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ LATS1 O95835 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ LATS2 Q9NRM7 1/20 0.41

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
SCHEMBL23478663 0.90 SMN1; SMN2 (0.48) SMN1; SMN2NAMPTCACNA1HCACNA1BCACNA1C
SCHEMBL30632885 0.90 SMN1; SMN2 (0.48) SMN1; SMN2NAMPTCACNA1HCACNA1BCACNA1C
SCHEMBL30469092 0.82 KDM4A (0.54) SMN1; SMN2CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL25677972 0.82 KDM4A (0.54) SMN1; SMN2CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL30920730 0.80 NQO2 (0.48) SMN1; SMN2CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL12024521 0.79 NR3C1 (0.43) NR3C1NR3C2PGRCYP3A4DAO
SCHEMBL30759266 0.79 KDM4A (0.48) SMN1; SMN2NAMPTCACNA1HCACNA1BCACNA1C
SCHEMBL28593575 0.78 F2 (0.54) SMN1; SMN2MASP2NAMPTCYP3A4
SCHEMBL30387402 0.78 F2 (0.54) SMN1; SMN2MASP2NAMPTCYP3A4
SCHEMBL23478384 0.78 F2 (0.54) SMN1; SMN2MASP2NAMPTCYP3A4

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-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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