SCHEMBL25375302

SCHEMBL25375302

CCCCC(C)(CN)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.38
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
SMPD1 P17405 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL25375297 1.00 FDPS (0.38) FDPSALDH1A1ALOX15MEN1MAPT
SCHEMBL15812190 0.88 ALDH1A1 (0.38) FDPSALDH1A1KDM4EKDM4C
SCHEMBL17837074 0.85 ODC1 (0.32) KDM4E
SCHEMBL22832247 0.82 MEN1 (0.38) ALDH1A1ALOX15MEN1MAPTKMT2A
SCHEMBL18109605 0.82 MEN1 (0.38) ALDH1A1ALOX15MEN1MAPTKMT2A
SCHEMBL18527057 0.80
SCHEMBL15663509 0.79 KDM4E (0.37) L3MBTL1KDM4EKDM4C
SCHEMBL25377703 0.79 CTSK (0.39) FDPSALDH1A1MEN1KMT2ACA1
SCHEMBL22005322 0.79 CTSK (0.39) FDPSALDH1A1MEN1KMT2ACA1
SCHEMBL25375641 0.78 KMT2A (0.35) ALDH1A1MEN1MAPTKMT2AATM

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-2023160527-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2023-08-31 WO disclosed