SCHEMBL24638465

SCHEMBL24638465

N#Cc1c[nH]cc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CASP1 P29466 2/20 0.36
ALDH1A1 P00352 2/20 0.33
CHUK O15111 2/20 0.33
ATM Q13315 1/20 0.33
PARP1 P09874 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DPYD Q12882 1/20 0.32
ADRA1D P25100 2/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
UPP1 Q16831 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NOTUM Q6P988 1/20 0.31
IKBKB O14920 1/20 0.31
MAPT P10636 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
SCHEMBL3085678 0.80 NOTUM (0.46) ALDH1A1DPYDUPP1KDM4EHSD17B10
SCHEMBL7705143 0.75 ALDH1A1 (0.43) ALDH1A1ATMPARP1KDM4EHSD17B10
SCHEMBL11937456 0.74 MAPT (0.35) ALDH1A1KDM4EHSD17B10NOTUMMAPT
SCHEMBL3086135 0.74 POLB (0.46) ALDH1A1KDM4EHSD17B10NOTUMMAPT
SCHEMBL9788726 0.74 GAA (0.47) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL442565 0.72
SCHEMBL11937455 0.71 ALDH1A1 (0.54) ALDH1A1ATMKDM4EMAPT
SCHEMBL3092655 0.70 ALDH1A1 (0.56) ALDH1A1ATMKDM4EHSD17B10MAPT
SCHEMBL262368 0.70 NPC1 (0.58) CDC7ALDH1A1NPC1RAB9AKDM4E
SCHEMBL11937462 0.69 HPGD (0.43) ALDH1A1KDM4EMAPTHPGDTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022231242-A1 INDAZOLE COMPOUND HAVING LRRK2 INHIBITORY ACTIVITY 주식회사 스탠다임 2022-11-03 WO disclosed
WO-2022231242-A1 INDAZOLE COMPOUND HAVING LRRK2 INHIBITORY ACTIVITY 주식회사 스탠다임 2022-11-03 WO disclosed