SCHEMBL9309432

SCHEMBL9309432

O=C(Nc1ccccc1C(=O)O)c1ccc(CN2C(=O)CCc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.60
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
HDAC6 Q9UBN7 7/20 0.55
HDAC3 O15379 2/20 0.55
CA2 P00918 1/20 0.51
HDAC1 Q13547 6/20 0.50
HDAC8 Q9BY41 4/20 0.50
DHODH Q02127 1/20 0.50
AGTR1 P30556 1/20 0.49
PLK1 P53350 3/20 0.49
PLK3 Q9H4B4 3/20 0.49

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
SCHEMBL9309713 0.84 POLB (0.62) MEN1KMT2APOLBHDAC6HDAC3
SCHEMBL9308859 0.84 POLB (0.76) MEN1KMT2APOLBHDAC6HDAC3
SCHEMBL31667178 0.77 POLB (0.77) MEN1KMT2APOLBHDAC6HDAC3
SCHEMBL9308870 0.77 POLB (0.77) MEN1KMT2APOLBHDAC6HDAC3
SCHEMBL29880432 0.77 POLB (1.00) MEN1KMT2APOLB
SCHEMBL10688767 0.77 POLB (1.00) MEN1KMT2APOLB
SCHEMBL17425270 0.75 HDAC6 (0.76) POLBHDAC6HDAC3HDAC1HDAC8
SCHEMBL28166449 0.74 TNF (0.60) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL2028671 0.74 DHODH (0.86) MEN1KMT2ACA12CA1CA4
SCHEMBL9307390 0.74 POLB (0.47) MEN1KMT2APOLBHDAC6HDAC3

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