SCHEMBL8867140

SCHEMBL8867140

CC(C)(C)OC(=O)CNC(=O)c1ccn2cc(-c3ccc(C#N)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 4/20 0.42
▸ CHRM4 P08173 3/20 0.42
▸ SUV39H2 Q9H5I1 3/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ PTPRC P08575 2/20 0.39
▸ PREP P48147 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37

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
SCHEMBL8866536 0.92 SUV39H2 (0.43) EGLN2CHRM4SUV39H2NOS3NOS1
SCHEMBL8866397 0.87 ALDH1A1 (0.51) EGLN2EGLN1TNFALDH1A3KDM4E
SCHEMBL8866770 0.86 EGLN1 (0.47) EGLN2CHRM4EGLN1PREPALDH1A3
SCHEMBL8867032 0.85 EGLN2 (0.38) EGLN2CHRM4SUV39H2ALDH1A3ALDH1A1
SCHEMBL8866437 0.85 EGLN2 (0.38) EGLN2CHRM4SUV39H2ALDH1A3ALDH1A1
SCHEMBL8866164 0.85 SUV39H2 (0.43) CHRM4SUV39H2PTPRCKDM4ENPC1
SCHEMBL8866078 0.85 SUV39H2 (0.43) CHRM4SUV39H2PTPRCKDM4ENPC1
SCHEMBL8867371 0.83 APP (0.40) EGLN2CHRM4SUV39H2ALDH1A3KDM4E
SCHEMBL8865926 0.83 SUV39H2 (0.47) CHRM4SUV39H2KDM4ENPC1ALDH1A1
SCHEMBL8866254 0.82 APP (0.39) EGLN2CHRM4SUV39H2ALDH1A3KDM4E

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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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