SCHEMBL28115477

SCHEMBL28115477

O=C(CCc1cc(-c2ccccc2)nc2ccc(Br)cc12)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.52
MAPT P10636 8/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
PRNP P04156 2/20 0.44
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
P4HB P07237 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28115569 0.88 KDM4E (0.50) MAPTTP53LMNAKMT2AALDH1A1
SCHEMBL28115475 0.88 MAPT (0.45) RXFP1MAPTTP53LMNAPOLB
SCHEMBL28837021 0.87 MAPT (0.60) MAPTTP53LMNANPSR1KMT2A
SCHEMBL28115022 0.86 DHODH (0.53) MAPTTP53CA12CA1CA2
SCHEMBL28115074 0.86 DHODH (0.54) MAPTNPSR1PRNPKMT2AMEN1
SCHEMBL28837077 0.84 TRPV1 (0.43) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL28115083 0.84 MAPT (0.48) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL28115474 0.81 MAPT (0.60) MAPTTP53LMNAKMT2AMEN1
SCHEMBL28115476 0.76 POLB (0.57) MAPTTP53LMNAKMT2AMEN1
SCHEMBL28115023 0.76 MAPT (0.46) MAPTLMNANPSR1KMT2AMEN1

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
CN-106220560-A A kind of preparation method of poly-substituted quinoline derivant 华侨大学 2016-12-14 CN disclosed