SCHEMBL11076013

SCHEMBL11076013

CCCCCCC[C@H]1CC[C@H](c2cnc(CCCCC)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SPHK2 Q9NRA0 7/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL11073344 1.00 SPHK1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11076011 1.00 SPHK1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11073342 1.00 SPHK1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11069790 0.98 MEN1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11069793 0.98 MEN1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11073335 0.97 MAPT (0.41) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11073336 0.97 MAPT (0.41) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11066471 0.95 MEN1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11066467 0.95 MEN1 (0.42) SPHK1MAPTGAAMEN1KMT2A
SCHEMBL11067228 0.95 SPHK1 (0.40) SPHK1MAPTGAAMEN1KMT2A

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
US-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US claimed
US-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed