SCHEMBL30280884

SCHEMBL30280884

Cc1c(C(=O)O)cc(I)cc1C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 8/20 0.39
MAPT P10636 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
CAMKK1 Q8N5S9 5/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 2/20 0.35
GPR35 Q9HC97 1/20 0.35
ABCC1 P33527 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL30281011 0.83 OPRK1 (0.39) KDM4E
SCHEMBL30280752 0.80 ACMSD (0.35) CAMKK2MAPTACMSDCAMKK1NOTUM
SCHEMBL30281103 0.79 MAPT (0.37) CAMKK2MAPTACMSDCAMKK1KDM4E
SCHEMBL30280904 0.76 PDK2 (0.41) MAPTKDM4E
SCHEMBL21241026 0.76 MAPT (0.46) CAMKK2MAPTKDM4EMEN1KMT2A
SCHEMBL30281000 0.76 HSD17B10 (0.39) CAMKK2MAPTKDM4EKMT2ATDP1
SCHEMBL28071071 0.76 BRD4 (0.41) CAMKK2MAPTKDM4EMEN1KMT2A
SCHEMBL27483638 0.75 ACMSD (0.41) CAMKK2MAPTACMSDCAMKK1KDM4E
SCHEMBL27296746 0.75 MAPT (0.45) CAMKK2MAPTACMSDKDM4EMEN1
SCHEMBL12488784 0.74 MAPT (0.38) CAMKK2MAPTACMSDNOTUMHCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed