SCHEMBL28210982

SCHEMBL28210982

CC(C)(C)OC(=O)NCc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
KCNA5 P22460 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
IDO1 P14902 1/20 0.42
NAMPT P43490 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SYK P43405 1/20 0.40
NQO2 P16083 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GLS O94925 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL28255694 0.91 KCNA5 (0.50) KDM4AKCNA5CA12CA1CA7
SCHEMBL6095753 0.90 MEN1 (0.47) KDM4AKCNA5CA12CA1CA7
SCHEMBL6172012 0.87 KCNA5 (0.44) KDM4AKCNA5CA12CA1CA7
SCHEMBL1808874 0.83 KCNA5 (0.56) KDM4AKCNA5CA12CA1CA7
SCHEMBL6290025 0.82 KCNA5 (0.50) KDM4AKCNA5CA12CA1CA7
SCHEMBL1965799 0.82 KCNA5 (0.50) KDM4AKCNA5CA12CA1CA7
SCHEMBL26659635 0.82 KCNA5 (0.55) KDM4AKCNA5CA12CA1CA7
SCHEMBL21484075 0.81 POLB (0.59) KDM4AATMPOLBMAPK1NAMPT
Water SCHEMBL30667520 0.80 KCNA5 (0.53) KDM4AKCNA5CA12CA1CA7
SCHEMBL18685091 0.79 KDM4A (0.48) KDM4AKCNA5CA12CA1CA7

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-107835812-A Target mutant K RAS composition and method 南特生物科学股份有限公司 2018-03-23 CN disclosed