SCHEMBL7904501

SCHEMBL7904501

O=P(c1ccc(Br)cn1)(c1ccc(Br)cn1)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FDPS P14324 1/20 0.43
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
GBA1 P04062 1/20 0.36
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19797419 0.84 ALDH1A1 (0.44) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL30682640 0.82 KDM4E (0.41) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL26931387 0.82 KDM4E (0.41) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL26931581 0.79 FDPS (0.46) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL30682681 0.79 FDPS (0.46) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL30682781 0.77 FDPS (0.38) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL30682656 0.77 GBA1 (0.43) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL26931522 0.77 GBA1 (0.43) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL26931487 0.77 FDPS (0.38) KDM4EALDH1A1FDPSNPC1RAB9A
SCHEMBL26931664 0.76 GBA1 (0.42) KDM4EALDH1A1FDPSNPC1RAB9A

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-6281303-B1 TRANSITION METAL COMPLEX EASTMAN CHEMICAL COMPANY 2001-08-28 US disclosed