SCHEMBL6446334

SCHEMBL6446334

Cc1ccc(C)c2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CSNK2A1 P68400 2/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PARP1 P09874 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE3A Q14432 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL10639573 0.86 MAPT (0.44) MAPTCSNK2A1CSNK2A2CSNK2BPOLB
SCHEMBL10639584 0.86
Hydrochloric Acid SCHEMBL10633457 0.83 MAPT (0.42) MAPTCSNK2A1CSNK2A2CSNK2BPOLB
SCHEMBL8598047 0.74 GAA (0.63) MAPTPOLBGAAMEN1KMT2A
SCHEMBL9502744 0.74 NPSR1 (0.53) MAPTCSNK2A1CSNK2A2CSNK2BPOLB
SCHEMBL10027329 0.73 ADORA3 (0.52) CSNK2A1PARP1
SCHEMBL14771418 0.73 MGAM (0.38) GAA
SCHEMBL15579814 0.72 MAPT (0.47) MAPTPOLBGAAMEN1KMT2A
SCHEMBL34469196 0.72 MGAM (0.35) MAPTGAA
SCHEMBL10633154 0.71 MAPT (0.40) MAPTCSNK2A1CSNK2A2CSNK2BPOLB

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-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed