SCHEMBL17347156

SCHEMBL17347156

Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4)[C@]3(C)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY2 Q08462 1/20 0.45
CACNA1B Q00975 3/20 0.43
APBA1 Q02410 3/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.38
GFER P55789 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL17347160 1.00 ADCY2 (0.45) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347077 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL22898531 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL22898545 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL18787397 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347214 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347078 0.87 ITGB2 (0.44) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347161 0.86 ADCY2 (0.41) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347163 0.86 ADCY2 (0.41) ADCY2CACNA1BAPBA1MEN1KMT2A
SCHEMBL17347392 0.83 ITGAL (0.39) ADCY2CACNA1BAPBA1NPSR1POLB

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-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 WO disclosed