SCHEMBL19334754

SCHEMBL19334754

Cc1ccc2c(c1)SCc1cccc(F)c1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B3 P37058 1/20 0.40
EPHX2 P34913 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.35
METAP1 P53582 1/20 0.34
LCK P06239 1/20 0.34
PGR P06401 2/20 0.33
PBRM1 Q86U86 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.32

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
SCHEMBL19334755 0.84 ALDH1A1 (0.44) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL19334766 0.82 MAPT (0.42) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL19334753 0.82 ALDH1A1 (0.39) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL15143562 0.81 ACHE (0.43) KDM4EALDH1A1HPGDAKR1B1MAPK14
SCHEMBL16587501 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1HSD17B3AKR1B1
SCHEMBL12016675 0.69 EPHX2 (0.44) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL13871409 0.69 EPHX2 (0.53) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL5766444 0.68 KDM4E (0.46) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL11873711 0.67 ELANE (0.51) MEN1HTTKMT2AKDM4EALDH1A1
SCHEMBL86191 0.67 ELANE (0.51) MEN1HTTKMT2AKDM4EALDH1A1

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
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed