SCHEMBL5807201

SCHEMBL5807201

CCC(=O)/C(=C/c1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56
MAPT P10636 7/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NFKB1 P19838 2/20 0.47

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
SCHEMBL5804949 1.00 CA1 (0.56) CA1CA2CA4CA7MAPT
SCHEMBL14573795 0.85 MAPT (0.68) CA1CA2CA4CA7MAPT
SCHEMBL8038875 0.85 MEN1 (0.63) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL5808845 0.82 CA1 (0.72) CA1CA2CA4CA7MAPT
SCHEMBL5808849 0.82 CA1 (0.72) CA1CA2CA4CA7MAPT
SCHEMBL6846903 0.79 MAPT (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL8028859 0.78 KMT2A (0.56) CA1CA2CA4CA7MAPT
SCHEMBL8028857 0.78 KMT2A (0.56) CA1CA2CA4CA7MAPT
SCHEMBL927020 0.78 MAPT (0.55) CA1CA2CA4CA7MAPT
SCHEMBL10045756 0.78 MAPT (0.55) CA1CA2CA4CA7MAPT

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-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed