SCHEMBL29957261

SCHEMBL29957261

O=Cc1cnc2c(O)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.57
METAP2 P50579 2/20 0.47
MMP2 P08253 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PARP1 P09874 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALOX12 P18054 1/20 0.45
PAX8 Q06710 1/20 0.45
NPC1 O15118 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL28490536 1.00 KDM4E (0.57) KDM4EMETAP2MMP2CHRM1TSHR
Formamide SCHEMBL9732098 0.83 PARP1 (0.62) KDM4EMETAP2MMP2CHRM1TSHR
SCHEMBL18573144 0.83 KDM4E (0.57) KDM4EMETAP2MMP2CHRM1TSHR
SCHEMBL9732094 0.82 KDM4E (0.49) KDM4EMETAP2MMP2CHRM1TSHR
SCHEMBL27398936 0.79 PARP1 (0.43) KDM4EPARP1NPC1
SCHEMBL26590078 0.79 PARP1 (0.43) KDM4EPARP1KMT2A
SCHEMBL29022258 0.79 CCR1 (0.46) KDM4EPARP1
SCHEMBL20176009 0.76 KDM4E (0.62) KDM4EMETAP2MMP2CHRM1TSHR
SCHEMBL29953052 0.76 ERN1 (0.54) KDM4EMETAP2MMP2CHRM1TSHR
SCHEMBL28592203 0.76 ERN1 (0.54) KDM4EMETAP2MMP2CHRM1TSHR

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