SCHEMBL9617780

SCHEMBL9617780

O=C(Oc1cc(Br)c(F)cc1Cl)Oc1cc(Br)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 2/20 0.34
CUL4A Q13619 2/20 0.34
MAPT P10636 2/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
AKR1B1 P15121 1/20 0.33
SCN9A Q15858 1/20 0.32
POLB P06746 2/20 0.31
APEX1 P27695 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
MRGPRX4 Q96LA9 2/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL8169849 0.87 NPC1 (0.36) NPC1RAB9AKDM1AKDM1BMAPT
SCHEMBL16068644 0.86 CUL4A (0.49) CUL4AGAA
SCHEMBL17466059 0.86 KDM4E (0.42) NPC1RAB9AKDM1AKDM1BMAPT
SCHEMBL2916569 0.82 AKR1B1 (0.35) NPC1RAB9ACUL4AAKR1B1LCK
SCHEMBL27828718 0.79 KDM1A (0.39) NPC1RAB9AKDM1AKDM1BMAPT
SCHEMBL8370837 0.78 NPC1 (0.37) NPC1RAB9ACUL4AMAPTPOLB
SCHEMBL23706551 0.76 CUL4A (0.40) NPC1RAB9ACUL4AMAPTPOLB
SCHEMBL27509330 0.75 INPPL1 (0.49) NPC1RAB9AKDM1AKDM1BMAPT
SCHEMBL31118436 0.75 NPC1 (0.45) NPC1RAB9AKDM1AKDM1BMAPT
SCHEMBL1223997 0.75 NPC1 (0.45) NPC1RAB9AKDM1AKDM1BMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4059747-A None JP disclosed
JP-H0459747-A PRODUCTION OF BENZOIC ACID DERIVATIVE AND INTERMEDIATE THEREOF AND PRODUCTION OF THE INTERMEDIATE NIPPON NOHYAKU CO LTD 1992-02-26 JP disclosed