SCHEMBL11069790

SCHEMBL11069790

CCCCCc1ncc(C2CCC(CCCCC)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SPHK1 Q9NYA1 11/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
CYP2C9 P11712 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK2 Q9NRA0 7/20 0.35

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
SCHEMBL11069793 1.00 MEN1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11073344 0.98 SPHK1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11076011 0.98 SPHK1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11076013 0.98 SPHK1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11073342 0.98 SPHK1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11067229 0.97 SPHK1 (0.40) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11066467 0.97 MEN1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11066471 0.97 MEN1 (0.42) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11067228 0.97 SPHK1 (0.40) MEN1KMT2ASPHK1MAPTGAA
SCHEMBL11073335 0.95 MAPT (0.41) MEN1KMT2ASPHK1MAPTGAA

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