SCHEMBL23905294

SCHEMBL23905294

COC(=O)c1cc(OC(C)=O)c2ncc(F)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGDS O60760 1/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
TNF P01375 2/20 0.36
MCL1 Q07820 2/20 0.36
NOD1 Q9Y239 2/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL23905372 0.88 KDM4E (0.45) PSMD14SMN1; SMN2KDM4EALDH1A1HPGDS
SCHEMBL23905367 0.81 KDM4E (0.49) PSMD14SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23905370 0.81 ELANE (0.37) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL23195634 0.75 CA12 (0.47) RAB9APKMHPGDSLMNAHTT
SCHEMBL30897207 0.73 LCK (0.43) SMN1; SMN2NPC1RAB9APKMKDM4E
SCHEMBL2171686 0.73 LCK (0.43) SMN1; SMN2NPC1RAB9APKMKDM4E
SCHEMBL23904892 0.72 KDM4E (0.46) PSMD14SMN1; SMN2KDM4EALDH1A1HPGDS
SCHEMBL23905404 0.72 ATM (0.47) PSMD14SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23883070 0.72 KDM4E (0.46) PSMD14KDM4EALDH1A1HPGDSLMNA
SCHEMBL23166783 0.71 KDM4E (0.45) PSMD14KDM4EALDH1A1HPGDSLMNA

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed