SCHEMBL28675633

SCHEMBL28675633

CCCCCCCCCCCCn1nnc2cc(C)c(C)cc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.60
HCAR3 P49019 3/20 0.55
LMNA P02545 1/20 0.46
MGAM O43451 5/20 0.46
AMY1A P0DUB6 5/20 0.46
GAA P10253 5/20 0.46
SI P14410 5/20 0.46
MGAM2 Q2M2H8 5/20 0.46
GRM2 Q14416 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28650701 1.00 SLC9A1 (0.60) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL28669951 1.00 SLC9A1 (0.60) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL19911445 0.93 SLC9A1 (0.58) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL19911444 0.86 SLC9A1 (0.56) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL19911458 0.86 SLC9A1 (0.46) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL17103124 0.84 SLC9A1 (0.51) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL19911460 0.81 MGAM (0.41) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL14294674 0.79 SLC9A1 (0.53) SLC9A1HCAR3LMNAMGAMAMY1A
SCHEMBL28928324 0.79 SLC9A1 (0.55) SLC9A1HCAR3GRM2
SCHEMBL28653672 0.79 SLC9A1 (0.55) SLC9A1HCAR3GRM2

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
CN-113666932-A Dimetatriazolopentacenequinone compound and preparation method thereof 兰州大学 2021-11-19 CN disclosed