SCHEMBL28338564

SCHEMBL28338564

O=P(O)(Oc1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SRC P12931 2/20 0.40
LMNA P02545 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL27850879 0.88 LMNA (0.42) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL780017 0.82 TDP1 (0.52) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL29468594 0.82 TDP1 (0.52) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL779846 0.82 LMNA (0.42) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL25256710 0.82 SRC (0.58) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL29427945 0.82 SRC (0.58) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL28336686 0.82 NPC1 (0.46) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL12230088 0.79 CA12 (0.41) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL28074474 0.79 NPC1 (0.47) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL27637358 0.76 NPC1 (0.42) NPC1RAB9AKDM4ECASP3SENP7

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-110437280-A A kind of new method preparing 2 '-iodos [1,1 '-biaryl] -2- organic phosphonate compounds HUNAN INST SCIENCE & TECH 2019-11-12 CN disclosed