SCHEMBL18525752

SCHEMBL18525752

Cc1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
FGFR1 P11362 1/20 0.40
TSHR P16473 2/20 0.39
KIF11 P52732 1/20 0.39
PGR P06401 1/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
DNMT1 P26358 3/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL31621190 0.92 L3MBTL1 (0.52) KDM4EL3MBTL1ATMTSHRKIF11
SCHEMBL13146817 0.92 L3MBTL1 (0.52) KDM4EL3MBTL1ATMTSHRKIF11
SCHEMBL21515582 0.88 L3MBTL1 (0.48) KDM4EL3MBTL1ATMTSHRKIF11
SCHEMBL13232622 0.88 TSHR (0.43) TSHRKIF11PGRRORARORC
SCHEMBL14900732 0.88 ALDH1A1 (0.41) KDM4EL3MBTL1ATMTSHRPGR
SCHEMBL679015 0.88 KDM4E (0.56) KDM4EL3MBTL1ATMFGFR1TSHR
SCHEMBL29293968 0.87 TSHR (0.39) KDM4ETSHRKIF11PGRRORA
SCHEMBL2719134 0.87 TSHR (0.44) KDM4ETSHRKIF11PGRRORA
SCHEMBL26381945 0.87 TSHR (0.44) KDM4ETSHRKIF11PGRRORA
SCHEMBL12104991 0.87 L3MBTL1 (0.47) KDM4EL3MBTL1ATMTSHRKIF11

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-2017025166-A1 HEXAMETHYLINDANES MERCK PATENT GMBH (DE) 2017-02-16 WO disclosed