SCHEMBL267036

SCHEMBL267036

O=C(Nc1ccc(Br)cc1C(=O)NN=Cc1cccc(F)c1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
RAB9A P51151 9/20 0.50
MAPT P10636 9/20 0.50
NPC1 O15118 7/20 0.50
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
PLEC Q15149 2/20 0.48
CTDSP1 Q9GZU7 2/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL273459 1.00 POLB (0.54) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL273287 0.90 MAPT (0.56) POLBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL269023 0.90 MAPT (0.56) POLBRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL273634 0.89 RAB9A (0.56) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL266263 0.89 RAB9A (0.56) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL273641 0.85 MAPT (0.54) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL268775 0.85 MAPT (0.54) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL266744 0.84 POLB (0.56) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL273288 0.84 POLB (0.56) POLBRAB9AMAPTNPC1NPSR1
SCHEMBL266392 0.84 TDP1 (0.61) POLBRAB9AMAPTNPC1SMN1; SMN2

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