SCHEMBL11070004

SCHEMBL11070004

CCCCCc1ccc(-c2cnc([C@H]3CC[C@H](CCCCC)CC3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
RARB P10826 5/20 0.40
TSHR P16473 1/20 0.40
RARA P10276 1/20 0.39

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
SCHEMBL11070000 1.00 SPHK1 (0.43) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11069649 0.97 SPHK1 (0.40) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11069662 0.97 SPHK1 (0.40) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11075813 0.95 SPHK1 (0.43) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11075810 0.95 SPHK1 (0.43) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11066531 0.91 RAB9A (0.41) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11066526 0.91 RAB9A (0.41) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11069741 0.91 SPHK1 (0.44) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11070006 0.91 GAA (0.39) SPHK1MAPTRAB9AGAAHSD17B10
SCHEMBL11070008 0.91 GAA (0.39) SPHK1MAPTRAB9AGAAHSD17B10

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