SCHEMBL13680510

SCHEMBL13680510

CNC(=O)Nc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 3/20 0.48
KLK7 P49862 1/20 0.47
MMP13 P45452 1/20 0.47
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL13680461 0.83 SMN1; SMN2 (0.60) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680488 0.82 KIF11 (0.59) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680486 0.81 MAPT (0.52) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680492 0.79 TSHR (0.51) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL14699695 0.77 APP (0.44) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680504 0.77 PLK1 (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL10155599 0.76 ALDH1A1 (0.78) ALDH1A1KMT2AMAPTKDM4ENPC1
SCHEMBL13680490 0.76 PSMB8 (0.54) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680705 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL13680873 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTKDM4EMEN1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed