SCHEMBL8866770

SCHEMBL8866770

N#Cc1ccc(-c2cn3ccc(C(=O)NCC(=O)O)cc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 7/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ EGLN3 Q9H6Z9 1/20 0.47
▸ ALDH1A3 P47895 2/20 0.45
▸ CHRM4 P08173 3/20 0.43
▸ PREP P48147 1/20 0.42
▸ EGLN2 Q96KS0 3/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDH1 O75874 1/20 0.39

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
SCHEMBL8866564 0.90 CHRM4 (0.46) EGLN1ALDH1A3CHRM4EGLN2
SCHEMBL8867140 0.86 EGLN2 (0.42) EGLN1ALDH1A3CHRM4PREPEGLN2
SCHEMBL8866150 0.84 ALDH1A3 (0.52) ALDH1A3EGLN2HDAC1ALDH1A1SMN1; SMN2
Bromide SCHEMBL8866486 0.83 ALDH1A3 (0.51) ALDH1A3EGLN2HDAC1ALDH1A1SMN1; SMN2
SCHEMBL8866723 0.83 EGLN1 (0.46) EGLN1CHRM4HDAC1ALDH1A1HPGD
SCHEMBL8867277 0.83 EGLN1 (0.46) EGLN1CHRM4HDAC1ALDH1A1HPGD
SCHEMBL8866186 0.83 ALDH1A3 (0.43) ALDH1A3CHRM4EGLN2HDAC1ALDH1A1
SCHEMBL8866459 0.83 ALDH1A3 (0.43) ALDH1A3CHRM4EGLN2HDAC1ALDH1A1
SCHEMBL8866536 0.80 SUV39H2 (0.43) CHRM4EGLN2
SCHEMBL8866504 0.80 APP (0.43) ALDH1A3CHRM4HDAC1ALDH1A1SMN1; SMN2

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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