SCHEMBL6856966

SCHEMBL6856966

COc1cccc(-c2nc3ccc(O)cc3cc2CC(=O)NC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
AVPR1B P47901 3/20 0.38
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOB P27338 3/20 0.35
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MRE11 P49959 1/20 0.34
CNR1 P21554 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6856961 0.85 SMN1; SMN2 (0.39) PTGESAVPR1BMAOB
SCHEMBL6857475 0.78 AVPR1B (0.54) AVPR1B
SCHEMBL6857173 0.78 AVPR1B (0.45) AVPR1B
SCHEMBL6856859 0.78 AVPR1B (0.47) AVPR1BMAOB
SCHEMBL6857409 0.77 AVPR1B (0.43) AVPR1BMAOBKMT2A
SCHEMBL6857161 0.73 AVPR1B (0.43) AVPR1B
SCHEMBL16423646 0.72 AVPR1B (0.45) AVPR1BKDM4EALDH1A1
SCHEMBL6857370 0.72 TRPV1 (0.39) AVPR1BKDM4ECNR1
SCHEMBL1687280 0.71 AVPR1B (0.41) AVPR1BKDM4EALDH1A1
SCHEMBL6857026 0.67 AVPR1B (0.48) AVPR1B

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-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed