SCHEMBL30160665

SCHEMBL30160665

O=c1c2ccccc2cc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
TSHR P16473 1/20 0.51
POLB P06746 3/20 0.50
PIM1 P11309 2/20 0.50
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.46
PTPN5 P54829 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
CYP2C9 P11712 2/20 0.44
HTT P42858 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL28513461 1.00 MAPK1 (0.53) MAPK1TSHRPOLBPIM1LMNA
SCHEMBL28516403 0.83 GAA (0.50) MAPK1TSHRPOLBLMNAKMT2A
SCHEMBL28519950 0.83 TSHR (0.52) MAPK1TSHRPOLBPIM1LMNA
SCHEMBL28512866 0.83 TSHR (0.46) MAPK1TSHRPOLBLMNAKMT2A
SCHEMBL28518164 0.83 TSHR (0.52) MAPK1TSHRPOLBLMNAKMT2A
SCHEMBL28513462 0.83 ALDH1A1 (0.50) MAPK1TSHRPOLBPIM1LMNA
SCHEMBL28520871 0.79 LMNA (0.49) TSHRPOLBLMNAKMT2AKDM4E
SCHEMBL28513463 0.79 MAT2A (0.47) MAPK1TSHRPOLBLMNAPTPN5
SCHEMBL6824613 0.77 KMT2A (0.51) PIM1LMNAKMT2AKDM4EMEN1
SCHEMBL15775852 0.77 KMT2A (0.58) PIM1KMT2AKDM4EGAAPDE4A

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-115521310-A Synthesis method of isoindole isoquinoline spironaphthone compound 河南师范大学 2022-12-27 CN disclosed