SCHEMBL271995

SCHEMBL271995

O=S(=O)(O)Cc1cc(C(F)(F)F)ccc1Cl.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL276976 0.98 MCL1 (0.46) MCL1MAPTKDM4EMRGPRX4ALDH1A1
SCHEMBL270420 0.83 ALDH1A1 (0.44) MCL1MAPTKDM4EALDH1A1MEN1
SCHEMBL2375905 0.82 KDM4E (0.45) MCL1MAPTKDM4EALDH1A1MEN1
SCHEMBL271654 0.82 ALDH1A1 (0.43) MCL1MAPTKDM4EALDH1A1MEN1
SCHEMBL2375898 0.82 ALDH1A1 (0.43) MCL1MAPTKDM4EALDH1A1MEN1
SCHEMBL2906179 0.80 CES2 (0.47) MRGPRX4CYP3A4FLT1FLT4KDR
SCHEMBL2928941 0.79 ACLY (0.39) MAPTMRGPRX4
SCHEMBL13846826 0.78 KDM4E (0.45) MCL1MAPTKDM4EALDH1A1MEN1
SCHEMBL27474700 0.78 FLT1 (0.40) MAPTALDH1A1MEN1TSHRKMT2A
SCHEMBL14426968 0.77 CYP3A4 (0.41) MCL1MAPTKDM4EALDH1A1MEN1

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
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed