SCHEMBL14529516

SCHEMBL14529516

C[C@H](CC[C@@H]1[C@H](C)c2cc(C(F)(F)F)ccc2N[C@H]1c1ccccc1)CNS(=O)(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 16/20 0.43
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14529511 0.92 KIF11 (0.44) KIF11ALDH1A1
SCHEMBL14530297 0.92 KIF11 (0.43) KIF11ALDH1A1
SCHEMBL14529510 0.91 KIF11 (0.43) KIF11ALDH1A1KDM4EMEN1GAA
SCHEMBL14529512 0.90 KIF11 (0.42) KIF11ALDH1A1KDM4EMEN1GAA
SCHEMBL17461279 0.89 KIF11 (0.47) KIF11
SCHEMBL14529841 0.89 KIF11 (0.44) KIF11
SCHEMBL14529843 0.88 KIF11 (0.41) KIF11ALDH1A1KDM4EMEN1GAA
SCHEMBL14529517 0.88 KIF11 (0.51) KIF11
SCHEMBL14529559 0.87 KIF11 (0.41) KIF11ALDH1A1KDM4EMEN1GAA
SCHEMBL14529845 0.87 KIF11 (0.41) KIF11ALDH1A1KDM4EMEN1GAA

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-2007054138-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2007-05-18 — — WO disclosed
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