SCHEMBL3384593

SCHEMBL3384593

Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
MAPT P10636 7/20 0.64
TDP1 Q9NUW8 1/20 0.64
PABPC1 P11940 1/20 0.64
ALOX15 P16050 1/20 0.64
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL7863760 0.94 MAPT (0.72) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3230209 0.91 ATM (0.69) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3235845 0.89 ATM (0.66) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3384743 0.89 MAPT (0.67) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3605297 0.88 ATM (0.65) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3385026 0.88 ATM (0.65) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3384994 0.87 MAPT (0.68) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3384789 0.87 ATM (0.64) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL3615253 0.86 ATM (0.69) ATMMAPTTDP1PABPC1ALOX15
SCHEMBL14334424 0.86 ATM (0.62) ATMMAPTTDP1PABPC1ALOX15

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-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed