SCHEMBL267441

SCHEMBL267441

Cc1ccc(C=NNC(=O)c2cc(Br)ccc2NC(=O)c2ccno2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
GFER P55789 3/20 0.47
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.42
OPRK1 P41145 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL273872 1.00 GAA (0.47) GAAGFERKMT2AMEN1OPRK1
SCHEMBL274298 0.88 RAB9A (0.54) GAAGFERKMT2AMEN1OPRK1
SCHEMBL266761 0.88 RAB9A (0.54) GAAGFERKMT2AMEN1OPRK1
SCHEMBL273719 0.85 GAA (0.48) GAAKMT2AMEN1OPRK1RAB9A
SCHEMBL266828 0.85 GAA (0.48) GAAKMT2AMEN1OPRK1RAB9A
SCHEMBL273286 0.84 NPC1 (0.58) GAAGFERKMT2AMEN1RAB9A
SCHEMBL268693 0.84 NPC1 (0.58) GAAGFERKMT2AMEN1RAB9A
SCHEMBL266960 0.83 NPC1 (0.53) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL266961 0.83 NPC1 (0.53) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL273692 0.83 AURKA (0.41) GAAKMT2AMEN1OPRK1RAB9A

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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed