SCHEMBL9874344

SCHEMBL9874344

CCCN(CCC)C(=O)C(C)Nc1c(C(=O)OCC)cnc2cc(Br)cnc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.38
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 2/20 0.36
RAD52 P43351 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UHRF1 Q96T88 1/20 0.35

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
SCHEMBL9875116 0.80 GAA (0.44) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL9874892 0.78 GAA (0.53) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL9875111 0.76 GAA (0.44) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL9875153 0.76 PDE5A (0.53) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL9872808 0.72 KMT2A (0.40) GAARXFP1NPSR1KMT2AMEN1
SCHEMBL9873231 0.72 KMT2A (0.50) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL10679446 0.69 MAPK1 (0.70) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL23727276 0.68 NPSR1 (0.44) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL30121511 0.68 NPSR1 (0.44) GAARXFP1NPSR1MAPK1KMT2A
SCHEMBL30071633 0.68 NPSR1 (0.44) GAARXFP1NPSR1MAPK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed