SCHEMBL29851968

SCHEMBL29851968

O=C(O)c1cc2ncsc2cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HKDC1 Q2TB90 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DAO P14920 2/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL28840648 1.00 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL4420731 0.85 NPC1 (0.58) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL3735091 0.84 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL28840596 0.81 RAB9A (0.40) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL29852050 0.81 RAB9A (0.40) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL352444 0.81 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980162 0.79 KDM4E (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980270 0.77 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL3741920 0.77 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980355 0.76 TSHR (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116133692-A Methods of treating mutant lymphomas 凯麦拉医疗公司 2023-05-16 CN disclosed
CN-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed