SCHEMBL9957400

SCHEMBL9957400

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)cc(N)c2S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.39
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
C5AR1 P21730 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
SLC2A1 P11166 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
PLA2G1B P04054 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3576810 0.87 LMNA (0.42) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL3585062 0.86 LMNA (0.40) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521133 0.84 LMNA (0.41) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521103 0.83 LMNA (0.40) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521286 0.83 LMNA (0.51) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521079 0.83 LMNA (0.44) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL3586188 0.82 NR3C1 (0.43) LMNAHPGDCNR1NR3C1
SCHEMBL12520951 0.82 LMNA (0.43) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521170 0.82 OPRM1 (0.44) LMNAHPGDC5AR1MEN1KMT2A
SCHEMBL12521190 0.82 MEN1 (0.48) RCE1LMNAMEN1KMT2ACYP1A2

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed