SCHEMBL8228893

SCHEMBL8228893

C#CCC(=C)n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.53
▸ HTT P42858 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GAA P10253 6/20 0.47
▸ MGAM O43451 5/20 0.47
▸ AMY1A P0DUB6 5/20 0.47
▸ SI P14410 5/20 0.47
▸ MGAM2 Q2M2H8 5/20 0.47
▸ SLC9A1 P19634 3/20 0.47
▸ F2 P00734 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.44
▸ F12 P00748 3/20 0.43

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
SCHEMBL16451454 0.80 DGAT1 (0.56) DGAT1HTTNPSR1MAPTLMNA
SCHEMBL15426053 0.77 DGAT1 (0.66) DGAT1HTTNPSR1MAPTGAA
SCHEMBL14362020 0.74 DGAT1 (0.61) DGAT1HTTNPSR1MAPTHSD17B10
SCHEMBL18675329 0.74 DGAT1 (0.61) DGAT1HTTNPSR1MAPTGAA
SCHEMBL27699694 0.73 DGAT1 (0.56) DGAT1HTTNPSR1MAPTGAA
SCHEMBL27973795 0.73 DGAT1 (0.70) DGAT1HTTNPSR1MAPTGAA
SCHEMBL28952648 0.71 GAA (0.65) DGAT1HTTNPSR1MAPTGAA
SCHEMBL29728232 0.71 GAA (0.65) DGAT1HTTNPSR1MAPTGAA
SCHEMBL21650277 0.71 GAA (0.44) DGAT1HTTNPSR1MAPTLMNA
SCHEMBL29163194 0.70 DGAT1 (0.61) DGAT1HTTNPSR1MAPTHSD17B10

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
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 — — WO disclosed
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