SCHEMBL11544206

SCHEMBL11544206

N#Cc1ccc(NCCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.65
MAPT P10636 8/20 0.58
PKM P14618 2/20 0.58
LMNA P02545 1/20 0.58
HCAR3 P49019 5/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
VCAM1 P19320 1/20 0.48
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.45
BCL6 P41182 1/20 0.43
BCOR Q6W2J9 1/20 0.43
PRSS1 P07477 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL112161 0.85 KAT2B (0.70) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL29519350 0.85 KAT2B (0.70) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL29519405 0.85 KAT2B (0.73) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL6218547 0.83 KAT2B (0.74) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL31069460 0.82 KAT2B (0.70) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL1204829 0.82 KAT2B (0.70) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL19693566 0.82 KAT2B (0.66) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL29519225 0.82 KAT2B (0.66) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL6214461 0.82 KAT2B (0.73) KAT2BMAPTPKMLMNAHCAR3
SCHEMBL7349997 0.81 MAPT (0.62) MAPTPKMHCAR3ALDH1A1HPGD

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-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed