SCHEMBL4822170

SCHEMBL4822170

CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C(F)(F)F)nn(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2C9 P11712 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 6/20 0.40
GAA P10253 4/20 0.40
CYP2D6 P10635 3/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL274213 1.00 LMNA (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14209159 0.89 LMNA (0.42) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL273823 0.89 LMNA (0.56) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL272849 0.89 LMNA (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14209208 0.88 LMNA (0.55) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14209157 0.87 LMNA (0.42) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14209202 0.86 LMNA (0.42) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14364833 0.86 NPC1 (0.41) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL30402262 0.86 NPC1 (0.41) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL868689 0.86 NPC1 (0.41) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19

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
EP-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP disclosed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO disclosed