SCHEMBL29951795

SCHEMBL29951795

OB(O)c1nc2c(O)cccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
DYRK1A Q13627 1/20 0.49
APP P05067 1/20 0.46
ACHE P22303 1/20 0.42
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
METAP2 P50579 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
COMT P21964 1/20 0.38
ADRA1A P35348 1/20 0.38
METAP1 P53582 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GAA P10253 1/20 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
SCHEMBL5432001 0.78 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL6544062 0.78 PDPK1 (0.66) PDPK1DYRK1AAPPACHERET
SCHEMBL29952061 0.78 ALDH1A1 (0.59) DYRK1ARAB9AALDH1A1KMT2ATSHR
SCHEMBL74065 0.74 PDPK1 (1.00) PDPK1DYRK1AAPPACHERET
SCHEMBL5820155 0.74 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL17987894 0.74 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL3622776 0.74 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL10574548 0.74 PSMB8 (0.65) PDPK1DYRK1AAPPACHERET
SCHEMBL29950761 0.74 ALDH1A1 (0.38) PDPK1DYRK1ARAB9AALDH1A1KMT2A
SCHEMBL28957121 0.73 MEN1 (0.46) PDPK1RAB9AALDH1A1KMT2ATSHR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed