SCHEMBL3262045

SCHEMBL3262045

[CH2]Cc1c(C)[nH]c2c(C)cccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 3/20 0.61
GAA P10253 2/20 0.61
AHR P35869 1/20 0.58
KIF11 P52732 1/20 0.47
TSHR P16473 2/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EGFR P00533 1/20 0.43
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL6291031 0.76 MAPT (1.00) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL3264986 0.75 MAPT (0.75) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL5341593 0.74 AHR (1.00) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL20120113 0.74 KDM4E (0.73) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL6993605 0.74 MAPT (0.52) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL4423600 0.73 MAPT (0.65) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9974571 0.73 KIF11 (0.71) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL29363363 0.73 KIF11 (0.71) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL19871249 0.71 MAPT (0.63) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL201782 0.70 CYP2A6 (0.43) MAPTTSHRALDH1A1ATMLMNA

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
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO claimed
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed