SCHEMBL19439632

SCHEMBL19439632

COC(=O)c1sc(C(=O)OC)c2sc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
PABPC1 P11940 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NOTUM Q6P988 2/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAF1 P04049 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
MAPK14 Q16539 2/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL19436409 0.79 IKBKB (0.43) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL19436412 0.78 DAO (0.43) NOTUMPKMALDH1A1LMNANPSR1
SCHEMBL19439587 0.77 CSNK2A2 (0.46) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL281723 0.76 RAF1 (0.42) MAPTKMT2AKDM4EMEN1PABPC1
SCHEMBL29273316 0.74 NOTUM (0.47) MAPTKMT2AKDM4EMEN1PABPC1
SCHEMBL4062812 0.74 MAPT (0.42) MAPTKMT2AKDM4EMEN1PABPC1
SCHEMBL19439591 0.73 MAPT (0.41) MAPTKMT2AKDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL11007849 0.73 IKBKB (0.51) MAPTKMT2AKDM4EMEN1PABPC1
SCHEMBL24212419 0.71 L3MBTL1 (0.46) MAPTKMT2AKDM4EMEN1PABPC1
SCHEMBL1969132 0.71 KMT2A (0.51) MAPTKMT2AKDM4EMEN1PABPC1

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-2017167638-A1 NON-AQUEOUS ELECTROLYTES AND USES THEREOF SONY CORPORATION (JP) 2017-10-05 WO disclosed