SCHEMBL11069649

SCHEMBL11069649

CCCCCC1CCC(c2ncc(-c3ccc(CCCC)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RARB P10826 3/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 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
SCHEMBL11069662 1.00 SPHK1 (0.40) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11070004 0.97 SPHK1 (0.43) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11070000 0.97 SPHK1 (0.43) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11066531 0.94 RAB9A (0.41) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11066526 0.94 RAB9A (0.41) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11075810 0.92 SPHK1 (0.43) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11075813 0.92 SPHK1 (0.43) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11070006 0.91 GAA (0.39) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL11070008 0.91 GAA (0.39) SPHK1GAARAB9AMEN1KMT2A
SCHEMBL10354828 0.90 SPHK1 (0.42) SPHK1GAAMEN1KMT2AMAPT

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