SCHEMBL29955735

SCHEMBL29955735

CCCc1nc(C)cc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RECQL P46063 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
ABL1 P00519 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MPI P34949 1/20 0.31
RAB9A P51151 1/20 0.31
DUSP3 P51452 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
RIN1 Q13671 1/20 0.31

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
SCHEMBL29957984 0.85 HTT (0.37) HTTALDH1A1LMNAKDM4EMAPT
SCHEMBL13827600 0.80 HTT (0.45) HTTALDH1A1LMNAL3MBTL1RECQL
SCHEMBL29952437 0.79 HTT (0.40) HTTALDH1A1LMNAKDM4EPOLB
SCHEMBL29952038 0.76 HTT (0.34) HTTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2555142 0.74 HTT (0.71) HTTALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL3089372 0.71 ALDH1A1 (0.36) ALDH1A1LMNAKDM4ENPC1POLB
SCHEMBL29952455 0.71 ALDH1A1 (0.36) ALDH1A1LMNAKDM4ENPC1POLB
SCHEMBL1671889 0.71 HTT (0.42) HTTALDH1A1LMNARECQLKDM4E
SCHEMBL9843905 0.71 HTT (0.38) HTTALDH1A1L3MBTL1RECQLNPC1
SCHEMBL28330923 0.71 NOS2 (0.50) HTTMAPTNOS3NOS1NOS2

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