SCHEMBL30444151

SCHEMBL30444151

O[C@@H]1CN(c2cc(Nc3cccc(F)c3)ncn2)CC[C@H]1N1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.54
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM4 P08173 8/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
SLC18A3 Q16572 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 2/20 0.38

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
SCHEMBL25387696 1.00 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL25387690 1.00 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL26248330 1.00 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL26249672 0.94 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL25387637 0.94 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL25387632 0.94 SCN9A (0.54) SCN9AKDM4EMEN1LMNAMAPK1
SCHEMBL25388198 0.93 SCN9A (0.49) SCN9ACHRM4PRMT5WDR77SLC18A3
SCHEMBL25388201 0.93 SCN9A (0.49) SCN9ACHRM4PRMT5WDR77SLC18A3
SCHEMBL25387407 0.91 SCN9A (0.49) SCN9ACHRM4PRMT5WDR77SLC18A3
SCHEMBL25387405 0.91 SCN9A (0.49) SCN9ACHRM4PRMT5WDR77SLC18A3

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-116113626-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-05-12 CN disclosed