SCHEMBL29224924

SCHEMBL29224924

O=[N+]([O-])c1cnc(NC2CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MAPK1 P28482 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL27947891 0.93 MAPT (0.56) MAPTLMNAGAAPOLBMAPK1
SCHEMBL2947690 0.86 HDAC1 (0.43) MAPTLMNAGAAPOLBMAPK1
SCHEMBL30136658 0.83 GSK3A (0.41) MAPTLMNAGAAPOLBGSK3A
SCHEMBL20577141 0.82 KCNH2 (0.40) MAPTLMNAGAAPOLBMAPK1
SCHEMBL20577143 0.82 KCNH2 (0.40) MAPTLMNAGAAPOLBMAPK1
SCHEMBL20577148 0.82 KCNH2 (0.40) MAPTLMNAGAAPOLBMAPK1
SCHEMBL29225001 0.81 ALDH1A1 (0.41) MAPTLMNAGAAPOLBMAPK1
SCHEMBL25086292 0.80 PRKCQ (0.50) MAPTLMNAGAAPOLBGSK3A
SCHEMBL12801758 0.78 MAPT (0.36) MAPTLMNAGAAPOLBMAPK1
SCHEMBL2793284 0.77 GAA (0.58) MAPTLMNAGAAPOLBALDH1A1

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
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed