SCHEMBL17009656

SCHEMBL17009656

Cc1cc(C(=O)c2ccccc2)c(C)cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.56
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 2/20 0.47
AKR1C3 P42330 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11117347 0.89 MAPT (0.60) MAPTPOLBGAAMAPK1NPC1
SCHEMBL4400929 0.89 AKR1C3 (0.57) MAPTPOLBGAANPC1PTGS2
SCHEMBL29530654 0.85 ALDH1A1 (0.58) MAPTPOLBGAAPTGS2ALDH1A1
SCHEMBL6459498 0.85 ALDH1A1 (0.58) MAPTPOLBGAAPTGS2ALDH1A1
SCHEMBL7915439 0.83 CYP2C8 (0.60) MAPTPOLBGAANPC1PTGS2
SCHEMBL9357665 0.82 MAPT (0.54) MAPTPOLBGAAMAPK1HTT
SCHEMBL11483510 0.80 MEN1 (0.53) MAPTGAAMAPK1HTTPTGS2
SCHEMBL2270464 0.80 MAPT (0.63) MAPTPOLBGAAMAPK1NPC1
SCHEMBL18940467 0.80 ALDH1A1 (0.49) MAPTPOLBGAANPC1PTGS2
SCHEMBL4609604 0.80 POLB (0.57) MAPTPOLBGAAMAPK1NPC1

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
WO-2015121802-A1 BENZOYLPHENYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2015-08-20 WO disclosed