SCHEMBL21948484

SCHEMBL21948484

O=C(O)CCCNc1nc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
SIRT5 Q9NXA8 4/20 0.50
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
FOLH1 Q04609 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIN1 Q13526 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7828769 0.85 SIRT5 (0.64) MAPTSIRT5HPGDLMNAATM
SCHEMBL5848968 0.77 LMNA (0.75) MAPTSIRT5HPGDLMNAATM
SCHEMBL28653082 0.76 PGK1 (0.49) MAPTLMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL45134 0.75 HRH3 (0.53) MAPTMEN1KMT2AALDH1A1
SCHEMBL17807848 0.74 EGFR (0.52) MAPTSIRT5HPGDLMNAMEN1
SCHEMBL3997588 0.73 MEN1 (0.45) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL1182432 0.73 SIRT5 (0.59) MAPTSIRT5HPGDLMNAATM
SCHEMBL45665 0.73 MAPT (0.56) MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL20529668 0.72 MAPT (0.42) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6299408 0.72 MEN1 (0.46) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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
EP-3271360-B1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed