SCHEMBL29952948

SCHEMBL29952948

Cc1cccc2nc(C=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 3/20 0.44
BACE1 P56817 1/20 0.42
CCR1 P32246 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP2A6 P11509 2/20 0.38
PDE2A O00408 1/20 0.38
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36

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
SCHEMBL3085387 0.79 KDM4E (0.67) MAPTKDM4EPOLBRAB9AL3MBTL1
SCHEMBL29953541 0.78 ACHE (0.41) MAPTKDM4ERAB9ACYP1A2CCR1
SCHEMBL28280669 0.78 KDM4E (0.51) MAPTKDM4EPOLBRAB9AL3MBTL1
SCHEMBL2170729 0.78 RAB9A (0.44) MAPTKDM4EPOLBRAB9AL3MBTL1
SCHEMBL27260118 0.78 TERT (0.43) CYP1A2CCR1PDE3BPDE3AALDH1A1
SCHEMBL28449950 0.77 PDE10A (0.51) MAPTKDM4EPOLBRAB9APDE3B
SCHEMBL5540363 0.75 CYP1A2 (0.44) KDM4EPOLBRAB9AL3MBTL1CYP1A2
SCHEMBL826491 0.74 CYP1A2 (0.57) POLBCYP1A2BACE1CCR1PDE3B
SCHEMBL6176944 0.73 CCR1 (0.54) MAPTKDM4ERAB9AL3MBTL1CCR1
SCHEMBL4818968 0.73 ALDH1A1 (0.62) MAPTPOLBRAB9AL3MBTL1ERN1

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