SCHEMBL14209159

SCHEMBL14209159

CCC(CC(C)C)c1ccccc1NC(=O)c1c(C(F)(F)F)nn(C)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2C9 P11712 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 6/20 0.38
GAA P10253 4/20 0.38
CYP2D6 P10635 3/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL274213 0.89 LMNA (0.44) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL4822170 0.89 LMNA (0.44) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13843939 0.87 SMN1; SMN2 (0.41) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14209157 0.82 LMNA (0.42) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL272849 0.82 LMNA (0.44) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14209202 0.82 LMNA (0.42) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13057314 0.81 LMNA (0.44) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14209208 0.79 LMNA (0.55) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3998924 0.79 NPC1 (0.43) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL273823 0.78 LMNA (0.56) LMNACYP1A2CYP3A4CYP2C19CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358214-B2 Pyrazolyl carboxanilides for controlling unwanted microorganisms BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-7358214-B2 Pyrazolyl carboxanilides for controlling unwanted microorganisms BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed