SCHEMBL17166046

SCHEMBL17166046

Cc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5cccc(O)c5)cc4C3=O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.67
▸ ENPP2 Q13822 1/20 0.57
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CA12 O43570 4/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CA4 P22748 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 1/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17166274 0.93 RAB9A (0.76) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL9806710 0.86 RAB9A (0.65) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL17166043 0.83 POLB (0.65) RAB9AMEN1KMT2APOLBCA12
SCHEMBL13883813 0.82 MEN1 (0.60) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL1306810 0.81 RAB9A (0.76) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL13227992 0.81 POLB (0.66) RAB9AMEN1KMT2APOLBRXFP1
SCHEMBL17166311 0.80 POLB (0.70) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL15614028 0.77 POLB (0.69) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL14338938 0.77 RAB9A (0.73) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL11669212 0.77 KCNK3 (0.81) RAB9AMEN1KMT2APOLBRXFP1

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
Send feedback