SCHEMBL25810935

SCHEMBL25810935

CSc1ncc2cc(C(=O)O)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
DAO P14920 2/20 0.38
LIG1 P18858 1/20 0.38
NTRK1 P04629 1/20 0.37
GPR35 Q9HC97 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
PFKFB3 Q16875 1/20 0.33

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
SCHEMBL30492815 1.00 MEN1 (0.46) MEN1KMT2AKDM4EPKMALDH1A1
SCHEMBL3132185 0.80 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31025962 0.80 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29504669 0.79 KDM4E (0.51) MEN1KMT2AKDM4EPKMALDH1A1
SCHEMBL14004197 0.76 MAPK13 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL17842741 0.76 CHRNA7 (0.47) MEN1KMT2AKDM4EPKMALDH1A1
SCHEMBL16370957 0.73 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HCAR2
SCHEMBL29728017 0.70 ALDH1A1 (0.42) MEN1KMT2AKDM4EPKMALDH1A1
SCHEMBL4908387 0.70 ALDH1A1 (0.42) MEN1KMT2AKDM4EPKMALDH1A1
SCHEMBL8563062 0.70 ALDH1A1 (0.56) MEN1KMT2AKDM4EPKMALDH1A1

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed