SCHEMBL19953050

SCHEMBL19953050

Cc1ccc(F)c(-c2c(Cl)nc(I)n2-c2ccc(Cl)cc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 1/20 0.31
ATM Q13315 1/20 0.31
PTGS2 P35354 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL19967313 0.78 POLB (0.36) POLBMEN1NPC1KMT2AGAA
SCHEMBL1075463 0.78 POLB (0.41) POLBKDM4EGRM5
SCHEMBL1076433 0.75 KCNH2 (0.35) POLBNPC1MAPTRAB9AKCNH2
SCHEMBL19953096 0.73 PIK3CA (0.40) MEN1NPC1KMT2AMAPTRAB9A
SCHEMBL1073301 0.72 POLB (0.41) POLBNPC1RAB9AKDM4EGRM5
SCHEMBL1073760 0.72 POLB (0.36) POLBKDM4EPTGS2
SCHEMBL1074860 0.71 POLB (0.36) POLBKMT2AGAAKDM4EKCNH2
SCHEMBL19953168 0.70 SMN1; SMN2 (0.36) POLBPTGS2
SCHEMBL1076197 0.70 POLB (0.38) POLBKDM4EGRM5
SCHEMBL1075285 0.70 POLB (0.35) POLBMEN1NPC1KMT2AGAA

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
WO-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 WO disclosed