SCHEMBL9766381

SCHEMBL9766381

Nc1ncc2c(n1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
APAF1 O14727 1/20 0.33
NSD2 O96028 1/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 3/20 0.30
AKT1 P31749 1/20 0.30
PIK3R1 P27986 2/20 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
SCHEMBL28231618 0.76 DYRK1A (0.31) DYRK1A
SCHEMBL29618341 0.69 DYRK1A (0.46) DYRK1AALDH1A1MAPTKDM4ETP53
SCHEMBL126525 0.69 DYRK1A (0.46) DYRK1AALDH1A1MAPTKDM4ETP53
SCHEMBL23009509 0.69 HSP90AA1 (0.41) ALDH1A1MAPTKDM4EHSP90AA1POLB
SCHEMBL30698015 0.68 GRM5 (0.40) ALDH1A1MAPT
SCHEMBL30698038 0.68 GRM5 (0.40) ALDH1A1MAPT
SCHEMBL13459980 0.68 MAPT (0.36) DYRK1AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL9050761 0.68 KDM4E (0.40) DYRK1AALDH1A1MAPTKDM4EHSP90AA1
SCHEMBL9538581 0.67
SCHEMBL30749727 0.65 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHSP90AA1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
US-H890-H Herbicidal heterocyclicbenzylsulfonamides Rorer, Morris P. (US) 1991-02-05 US disclosed