SCHEMBL30744846

SCHEMBL30744846

O=C(O)c1c(F)ccc2ncsc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.37
CSNK2A1 P68400 2/20 0.36
PKM P14618 1/20 0.34
DHODH Q02127 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
PKLR P30613 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
CHRM1 P11229 1/20 0.32
ANO1 Q5XXA6 1/20 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
SCHEMBL31726107 0.76 CA12 (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL31726176 0.73 TSHR (0.40) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL9088493 0.72 NPC1 (0.37) NPC1RAB9AKDM4ETDP1MEN1
SCHEMBL31726120 0.72 KDM4E (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL6068320 0.71 CCNE1 (0.37) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30002369 0.71 P2RX7 (0.36) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL659694 0.71 ALDH1A1 (0.33) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL659590 0.70 NPC1 (0.31) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL3309453 0.70 CES2 (0.50) KDM4ETDP1DAOMEN1KMT2A
SCHEMBL2722669 0.70 ALDH1A1 (0.46) NPC1RAB9AKDM4EHKDC1TDP1

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed