SCHEMBL3983908

SCHEMBL3983908

CC(=O)Nc1cc(C)c(C(=O)c2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BDKRB1 P46663 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
NLRP1 Q9C000 1/20 0.46
HDAC1 Q13547 2/20 0.46
IDO1 P14902 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4743252 0.81 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2BDKRB1NPC1
SCHEMBL7273972 0.81 SRD5A2 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL7264522 0.79 HPGD (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3989124 0.76 HTT (0.47) MEN1KMT2ASMN1; SMN2RAB9ATDP1
SCHEMBL9416106 0.75 SRD5A2 (0.50) KMT2ASMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL23926254 0.75 KMT2A (0.55) MEN1KMT2ASMN1; SMN2BDKRB1NPC1
SCHEMBL28293837 0.75 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7910275 0.75 MAPT (0.42) KMT2ANPC1ALDH1A1L3MBTL1MAPT
SCHEMBL2382559 0.75 LMNA (0.54) MEN1KMT2ASMN1; SMN2RAB9ATDP1
SCHEMBL10890401 0.75 LMNA (0.54) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1

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
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed