SCHEMBL11069322

SCHEMBL11069322

CC(=O)N(N)c1ncn(Cc2ccccc2)c(=O)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PNP P00491 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ CYP11B2 P19099 2/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ PARN O95453 1/20 0.38
▸ CNOT7 Q9UIV1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL10538554 0.84 PNP (0.44) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL11063731 0.80 PNP (0.43) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL10537739 0.80 PNP (0.46) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL10541524 0.78 PDE4A (0.43) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL10542779 0.76 PNP (0.40) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL10537609 0.74 HCAR1 (0.41) CYP11B2
SCHEMBL10537628 0.74 HCAR1 (0.43) HPGDALDH1A1
SCHEMBL10538796 0.73 HCAR1 (0.42) HPGDALDH1A1MAPK14
SCHEMBL11067389 0.72 PNP (0.46) GAAPKMTSHRPNPSMN1; SMN2
SCHEMBL10538430 0.72 HPGD (0.38) HPGDALDH1A1

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-4460585-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1984-07-17 — — US disclosed
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