SCHEMBL9309713

SCHEMBL9309713

O=C(O)c1ccccc1C(=O)Nc1ccc(CN2C(=O)CCc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 1/20 0.48
AGTR1 P30556 1/20 0.48
TNF P01375 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL9309432 0.84 MEN1 (0.65) POLBMEN1KMT2AHDAC6HDAC3
SCHEMBL9307390 0.81 POLB (0.47) POLBTP53MAPTMEN1KMT2A
SCHEMBL9308859 0.80 POLB (0.76) POLBTP53MAPTMEN1KMT2A
SCHEMBL29880432 0.78 POLB (1.00) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL10688767 0.78 POLB (1.00) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9308870 0.76 POLB (0.77) POLBMEN1KMT2AHDAC6HDAC3
SCHEMBL31667178 0.76 POLB (0.77) POLBMEN1KMT2AHDAC6HDAC3
SCHEMBL30806351 0.74 POLB (0.58) POLBTP53MAPTMEN1KMT2A
SCHEMBL9308514 0.73 POLB (0.77) POLBMEN1KMT2AHDAC6HDAC3
SCHEMBL4335299 0.73 ALDH1A1 (0.69) MAPTMEN1KMT2AALDH1A1

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-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 EP disclosed