SCHEMBL12435005

SCHEMBL12435005

CCCOc1cc(C)cc(OCC)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSNK2A1 P68400 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL10196371 0.89 TSHR (0.53) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL15151735 0.79 MAPT (0.43) KMT2AMEN1MAPTL3MBTL1ATM
SCHEMBL16502112 0.78 MAPT (0.61) KMT2AMEN1MAPTL3MBTL1ATM
SCHEMBL10053938 0.78 ACHE (0.58) KMT2AMEN1MAPTL3MBTL1RAB9A
SCHEMBL14526048 0.77 ACHE (0.62) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL20005637 0.76 SMN1; SMN2 (0.54) TSHRKMT2AMEN1MAPTL3MBTL1
SCHEMBL1010950 0.76 THRB (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL14405204 0.76 THRB (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL29200144 0.75 ELANE (0.41) TSHRKMT2AMEN1MAPTATM
SCHEMBL6608551 0.75 KMT2A (0.53) TSHRKMT2AMEN1MAPTATM

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-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed