SCHEMBL269023

SCHEMBL269023

O=C(Nc1ccc(Br)cc1C(=O)NN=Cc1ccc(F)cc1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 6/20 0.53
KMT2A Q03164 6/20 0.53
TDP1 Q9NUW8 4/20 0.53
NPC1 O15118 11/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
MEN1 O00255 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 1/20 0.52
RAB9A P51151 11/20 0.51
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
PLEC Q15149 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.47

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
SCHEMBL273287 1.00 MAPT (0.56) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL267036 0.90 POLB (0.54) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL273459 0.90 POLB (0.54) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL273288 0.90 POLB (0.56) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL266744 0.90 POLB (0.56) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL273641 0.86 MAPT (0.54) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL268775 0.86 MAPT (0.54) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL273634 0.84 RAB9A (0.56) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL266263 0.84 RAB9A (0.56) MAPTALDH1A1POLBKMT2ATDP1
SCHEMBL266460 0.84 POLB (0.46) MAPTALDH1A1POLBKMT2ATDP1

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