SCHEMBL436428

SCHEMBL436428

CN(C(=O)C1(C)CCNCC1)C(C)(C)c1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
KARS1 Q15046 1/20 0.32
GHSR Q92847 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL435693 0.83 SSTR4 (0.33) RAF1BRAFPOLBAPEX1KARS1
SCHEMBL435694 0.79 GHSR (0.35) GHSRCA1CA2ACHE
SCHEMBL346598 0.78 KHK (0.40) RAF1BRAFGHSR
SCHEMBL10265063 0.74 RAF1 (0.41) RAF1BRAFGHSRCA1CA2
SCHEMBL436766 0.74 NR1H2 (0.39)
SCHEMBL436765 0.74 ALDH1A1 (0.39) POLB
SCHEMBL345716 0.74 KHK (0.40) GHSR
SCHEMBL436178 0.71 FAAH (0.35) GHSR
SCHEMBL346082 0.70 MMP3 (0.40) RAF1BRAF
SCHEMBL436179 0.70 GRIA2 (0.35) GHSR

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-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed