SCHEMBL23031852

SCHEMBL23031852

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PARP10 Q53GL7 1/20 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
▸ 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
SCHEMBL23032003 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23031880 0.80 ALDH1A1 (0.35) ALDH1A1NPC1PARP10F2PRSS1
SCHEMBL21300883 0.75 LOXL2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL23031870 0.73 IDO1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL23031885 0.73 — —
SCHEMBL22815269 0.72 KDM1A (0.48) ALDH1A1NPC1RAB9APARP10SMN1; SMN2
SCHEMBL23031872 0.70 LOXL2 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL23031867 0.70 CA2 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL22043779 0.68 CYP2D6 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22044273 0.68 GRIN2B (0.44) NPC1RAB9ASMN1; SMN2

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
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