SCHEMBL5320347

SCHEMBL5320347

O=S(=O)(NCCF)c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
KAT6A Q92794 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.46
PGR P06401 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 1/20 0.44
BRD4 O60885 1/20 0.43
WDR5 P61964 1/20 0.43
MEP1B Q16820 1/20 0.43

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
SCHEMBL30015741 0.83 ATM (0.70) ATML3MBTL1KAT6AKMT2AMEN1
SCHEMBL6758999 0.83 ATM (0.66) ATML3MBTL1KAT6AKMT2AMEN1
SCHEMBL3386980 0.83 ATM (0.66) ATML3MBTL1KAT6AKMT2AALDH1A1
SCHEMBL1348672 0.83 ATM (0.70) ATML3MBTL1KAT6AKMT2AMEN1
SCHEMBL1348562 0.81 ATM (0.62) ATML3MBTL1KAT6AKMT2AALDH1A1
SCHEMBL2377180 0.81 ATM (0.67) ATML3MBTL1KAT6AKMT2AALDH1A1
SCHEMBL1348621 0.80 ATM (0.61) ATML3MBTL1KAT6AKMT2AMEN1
SCHEMBL29334656 0.80 ATM (0.61) ATML3MBTL1KAT6AKMT2AMEN1
Hydrochloric Acid SCHEMBL7966569 0.80 ATM (0.61) ATML3MBTL1KAT6AKMT2AALDH1A1
SCHEMBL12570968 0.80 ATM (0.65) ATML3MBTL1KAT6AKMT2AALDH1A1

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-2007108743-A2 NOVEL QUINAZOLINES AS 5-HT6 MODULATORS II ASTRAZENECA AB (SE) 2007-09-27 WO disclosed