SCHEMBL23031880

SCHEMBL23031880

N/C=N\N=C(/N)c1ccc(COCCF)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ APP P05067 4/20 0.32
▸ MAOB P27338 2/20 0.31
▸ PARP10 Q53GL7 2/20 0.30
▸ F2 P00734 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30
▸ TMPRSS6 Q8IU80 1/20 0.30
▸ ST14 Q9Y5Y6 1/20 0.30
▸ FURIN P09958 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23031852 0.80 ALDH1A1 (0.32) ALDH1A1PARP10F2PRSS1PRSS2
SCHEMBL23032003 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21300883 0.78 LOXL2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL23031885 0.76 — —
SCHEMBL23031869 0.74 PARP1 (0.36) —
SCHEMBL22815269 0.72 KDM1A (0.48) ALDH1A1MAPTPARP10NPC1SMN1; SMN2
SCHEMBL22044273 0.71 GRIN2B (0.44) NPC1SMN1; SMN2
SCHEMBL22815304 0.70 APP (0.47) ALDH1A1MAPTAPPPARP10PRSS1
SCHEMBL23031867 0.70 CA2 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL23031878 0.70 LMNA (0.44) ALDH1A1

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-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
Send feedback