SCHEMBL24207668

SCHEMBL24207668

CNc1cccc(F)c1OC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 2/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSIP1 O75475 1/20 0.33
NPC1 O15118 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
ERN1 O75460 1/20 0.32
GCK P35557 1/20 0.31

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
SCHEMBL1992255 0.80 ERN1 (0.40) RAB9AKMT2AMEN1TDP1ERN1
SCHEMBL21369287 0.79 HPGD (0.35) RAB9AKDM4EPOLBATMSMN1; SMN2
SCHEMBL9285108 0.77 TAS1R3 (0.40) RAB9AKMT2AKCNH2KDM4EPOLB
SCHEMBL21369193 0.75 TSHR (0.43) RAB9AKMT2AMEN1KDM4EPOLB
SCHEMBL20176981 0.72 MAPT (0.32) MAPT
SCHEMBL16545836 0.72 KMT2A (0.40) KMT2AMEN1ATMSMN1; SMN2TDP1
SCHEMBL28100693 0.72 EPAS1 (0.36) ERN1GCKHTT
SCHEMBL19914437 0.71 ALDH1A1 (0.34) KMT2AMEN1KCNH2KDM4ESMN1; SMN2
SCHEMBL21368846 0.71 MAPT (0.44) RAB9AKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL22444978 0.70 NPSR1 (0.39) RAB9AKMT2AKDM4EPOLBATM

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-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed