SCHEMBL1385185

SCHEMBL1385185

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
HPGD P15428 1/20 0.36
C5AR1 P21730 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1387045 0.90 LPAR1 (0.38) ATMSLC2A1LPAR1LPAR5C5AR1
SCHEMBL1386968 0.86 MEN1 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5526790 0.86 SLC2A1 (0.36) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12521133 0.85 LMNA (0.41) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5189096 0.84 ADRB1 (0.35) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12521103 0.84 LMNA (0.40) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5531836 0.84 SLC2A1 (0.37) MEN1KMT2ASLC2A1HDAC8HDAC1
SCHEMBL5524589 0.84 GRM5 (0.40) LMNAKMT2ASLC2A1HDAC8HDAC1
SCHEMBL12521286 0.84 LMNA (0.51) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12521079 0.84 LMNA (0.44) LMNAMEN1CYP1A2CYP3A4CYP2D6

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
JP-4787254-B2 2011-10-05 JP claimed