SCHEMBL6856907

SCHEMBL6856907

Bc1ccc2nc(-c3ccc(F)c(Cl)c3)c(CC(=O)O)c(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KDM4E B2RXH2 1/20 0.42
KDR P35968 1/20 0.42
DHODH Q02127 2/20 0.40
POLB P06746 1/20 0.39
TSPO P30536 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMO O15229 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CASP3 P42574 1/20 0.38
AKR1B10 O60218 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL6856235 0.87 AVPR1B (0.39) LMNAKDM4EDHODHTSPO
SCHEMBL6857165 0.85 KDM4E (0.51) LMNASMN1; SMN2AURKAAURKBKDM4E
SCHEMBL6856769 0.81 KMO (0.39) PTGDR2KDM4EDHODHTSPOKMO
SCHEMBL6855979 0.75 AVPR1B (0.39) LMNAKDM4EDHODHTSPO
SCHEMBL6857065 0.73 AVPR1B (0.45)
SCHEMBL6857381 0.73 MDM2 (0.40) MDM2
SCHEMBL6857432 0.71 AVPR1B (0.43) SMN1; SMN2
SCHEMBL6856809 0.71 MTNR1A (0.36) AURKBTSPOKMOCASP3
SCHEMBL6857380 0.71 TRPV1 (0.38) KDM4E
SCHEMBL12955882 0.70 KDM4E (0.54) LMNASMN1; SMN2PTGDR2KDM4E

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