SCHEMBL17680989

SCHEMBL17680989

CCC(=O)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
POLB P06746 2/20 0.77
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CYP3A4 P08684 2/20 0.57
GAA P10253 3/20 0.55
EPHX1 P07099 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL11578349 0.86 HPGD (0.65) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL9620133 0.84 GAA (0.77) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL8773849 0.84 MEN1 (0.67) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL54924 0.84 MEN1 (0.80) KMT2AMEN1POLBALDH1A1CYP3A4
SCHEMBL30116158 0.84 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL20597334 0.84 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL12900894 0.84 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2680891 0.84 MEN1 (0.79) KMT2AMEN1POLBALDH1A1CYP3A4
SCHEMBL21765858 0.83 CYP3A4 (0.56) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL7934469 0.82 POLB (0.77) KMT2AMEN1POLBALDH1A1CYP3A4

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-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed