SCHEMBL8539890

SCHEMBL8539890

Nc1cc(OC(=O)Oc2cc(N)c(F)cc2Br)c(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CUL4A Q13619 2/20 0.34
PKM P14618 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
DGAT1 O75907 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9814300 0.90 CUL4A (0.46) HDAC1HDAC6CUL4ANCEH1SLC1A3
SCHEMBL8540923 0.82 HDAC1 (0.35) HDAC1HDAC6CA1CA2CA9
SCHEMBL28791805 0.80 HDAC1 (0.35) HDAC1HDAC6PKMNCEH1CA1
SCHEMBL8370837 0.78 NPC1 (0.37) HDAC1HDAC6CUL4APOLBL3MBTL1
SCHEMBL3708440 0.75 POLB (0.52) PKMPOLBL3MBTL1NPC1
SCHEMBL17796987 0.73 SLC1A3 (0.38) PKMNCEH1SLC1A3SLC1A2SLC1A1
SCHEMBL7211056 0.73 KDM4E (0.40) HDAC1HDAC6CUL4AL3MBTL1RAB9A
SCHEMBL9444974 0.73 TDP1 (0.40) PKMPOLBL3MBTL1ALDH1A1
SCHEMBL2681143 0.72 PDE2A (0.34) POLBL3MBTL1ALDH1A1
SCHEMBL2916569 0.71 AKR1B1 (0.35) CUL4APKMCA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659735-B1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEM RES (JP) 1999-01-13 EP disclosed
US-5639915-A Process for the production of aniline derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-06-17 US disclosed
EP-0659735-A1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-28 EP disclosed