SCHEMBL20182370

SCHEMBL20182370

CCCCC(CC)COc1cc2c3c(ccc4c5ccc6c7c(cc(OCC(CC)CCCC)c(c1c34)c75)C(=O)NC6O)C(=O)N(C)C2=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL21376714 0.87 PRMT1 (0.36) TP53SMN1; SMN2PRMT1ALDH1A1MAPK1
SCHEMBL22902138 0.84 PRMT1 (0.34) TP53SMN1; SMN2PRMT1ALDH1A1MAPK1
SCHEMBL21538336 0.80 PRMT1 (0.44) TP53SMN1; SMN2PRMT1ALDH1A1MAPK1
SCHEMBL21892022 0.79 PRMT1 (0.34) PRMT1ALDH1A1POLB
SCHEMBL17190557 0.79 STAT3 (0.41) SMN1; SMN2ALDH1A1MAPK1POLBCA2
SCHEMBL17190561 0.73 FAAH (0.38) ALDH1A1POLB
SCHEMBL21846596 0.71 PRMT1 (0.40) PRMT1ALDH1A1MAPK1POLBRXFP1
SCHEMBL21846597 0.68 PPARA (0.34) ALDH1A1POLB
SCHEMBL21846601 0.65 PRMT1 (0.33) PRMT1ALDH1A1
SCHEMBL12733507 0.64 CYP3A4 (0.45) TP53SMN1; SMN2ALDH1A1MAPK1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738240-B2 Thiadiazoloquinoxaline derivatives MERCK PATENT GMBH (DE) 2020-08-11 — — US disclosed
US-10626666-B2 Device for regulating the passage of light MERCK PATENT GMBH (DE) 2020-04-21 — — US disclosed
US-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
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