SCHEMBL14412397

SCHEMBL14412397

CN[C@@H]1CCCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
PROKR1 Q8TCW9 3/20 0.39
MAPK14 Q16539 1/20 0.39
KDM1A O60341 2/20 0.38
PDK2 Q15119 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL1594964 0.87 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594796 0.87 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594152 0.87 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594746 0.87 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594606 0.87 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594150 0.87 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1POLBPROKR1
SCHEMBL1594124 0.85 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1593690 0.85 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL1594515 0.85 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL1593277 0.84 ALDH1A1 (0.59) ALDH1A1GAAL3MBTL1POLBKDM4E

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-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed