SCHEMBL17166274

SCHEMBL17166274

O=C(Nc1cccc(O)c1)c1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.76
▸ ENPP2 Q13822 1/20 0.63
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ POLB P06746 3/20 0.60
▸ CA12 O43570 3/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA4 P22748 1/20 0.58
▸ SIRT6 Q8N6T7 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ GFER P55789 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CA2 P00918 2/20 0.53

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
SCHEMBL17166046 0.93 RAB9A (0.67) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL9806710 0.93 RAB9A (0.65) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL1306810 0.87 RAB9A (0.76) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL17166311 0.86 POLB (0.70) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL15614028 0.83 POLB (0.69) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL14338938 0.83 RAB9A (0.73) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL17166043 0.81 POLB (0.65) RAB9AMEN1KMT2APOLBCA12
SCHEMBL10189785 0.81 MEN1 (0.79) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL12340933 0.80 RAB9A (0.87) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL15176761 0.80 RAB9A (0.65) RAB9AENPP2MEN1KMT2APOLB

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-9155792-B2 RecA inhibitors with antibiotic activity, compositions and methods of use TRUSTEES OF BOSTON UNIVERSITY (US) 2015-10-13 — — US disclosed
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