SCHEMBL11070752

SCHEMBL11070752

CCCCCCCc1ncc([C@H]2CC[C@H](CCC)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.42
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK2 Q9NRA0 7/20 0.37
GAA P10253 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
SCHEMBL11070748 1.00 SPHK1 (0.42) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11076135 0.98 CYP2C9 (0.42) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11076133 0.98 CYP2C9 (0.42) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11076011 0.94 SPHK1 (0.42) SPHK1MAPTMEN1KMT2ASPHK2
SCHEMBL11073342 0.94 SPHK1 (0.42) SPHK1MAPTMEN1KMT2ASPHK2
SCHEMBL11076013 0.94 SPHK1 (0.42) SPHK1MAPTMEN1KMT2ASPHK2
SCHEMBL11073344 0.94 SPHK1 (0.42) SPHK1MAPTMEN1KMT2ASPHK2
SCHEMBL11075966 0.94 CYP2C9 (0.43) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11075962 0.94 CYP2C9 (0.43) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL11069790 0.92 MEN1 (0.42) SPHK1CYP2C9MAPTMEN1MAPK1

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