SCHEMBL24976100

SCHEMBL24976100

CC(=O)c1ccc2nc(C)cc(-c3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
GUSB P08236 1/20 0.52
OPRL1 P41146 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
S100A4 P26447 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR5A P47898 1/20 0.43
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL31428983 0.92 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31428714 0.89 IP6K1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL24976057 0.89 IP6K1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31428599 0.85 NPC1 (0.55) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31428875 0.84 ABCG2 (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31428992 0.82 IP6K1 (0.53) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31428616 0.81 MAPT (0.60) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL31428537 0.80 PDCD1 (0.52) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL30163537 0.80 TLR9 (0.50) ALDH1A1MAPT
SCHEMBL24975611 0.77 IP6K1 (0.55) KDM4EALDH1A1MEN1KMT2ANPC1

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
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed