SCHEMBL4435112

SCHEMBL4435112

CC(C)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
MAPT P10636 4/20 0.59
PKM P14618 1/20 0.59
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
HSD17B2 P37059 1/20 0.52
SLC6A2 P23975 1/20 0.51

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
SCHEMBL27334385 0.86 KMT2A (0.67) KMT2ALMNAHTTMAPTPKM
SCHEMBL1853622 0.85 LMNA (0.71) KMT2ALMNAHTTMAPTPKM
SCHEMBL18229441 0.85 HRH3 (0.65) KMT2ALMNAHTTMAPTPKM
SCHEMBL27333849 0.83 LMNA (0.72) KMT2ALMNAHTTMAPTPKM
SCHEMBL18229463 0.82 KMT2A (0.73) KMT2ALMNAHTTMAPTGAA
SCHEMBL27334086 0.80 LMNA (0.64) KMT2ALMNAHTTMAPTPKM
SCHEMBL2402894 0.80 LMNA (0.67) KMT2ALMNAHTTMAPTPKM
SCHEMBL7976825 0.80 SMN1; SMN2 (0.71) KMT2ALMNAHTTMAPTPKM
SCHEMBL27337415 0.80 KMT2A (0.69) KMT2ALMNAHTTMAPTPKM
SCHEMBL23054829 0.79 ALDH1A1 (0.60) KMT2ALMNAHTTMAPTPKM

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
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed