SCHEMBL11711318

SCHEMBL11711318

Nc1c(-c2c[nH]nn2)c(=O)oc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 15/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.43
▸ MGAM O43451 6/20 0.43
▸ SI P14410 6/20 0.43
▸ MGAM2 Q2M2H8 6/20 0.43
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL11712369 0.83 KDM4E (0.42) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL11499675 0.82 CLK4 (0.42) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11712218 0.82 KDM4E (0.41) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL30014125 0.72 GAA (0.65) GAAKDM4EALDH1A1LMNAMGAM
SCHEMBL9499096 0.72 GAA (0.65) GAAKDM4EALDH1A1LMNAMGAM
SCHEMBL1230426 0.69 GAA (1.00) GAAKDM4EALDH1A1LMNAMGAM
SCHEMBL11714060 0.69 GAA (0.51) GAAKDM4EALDH1A1LMNAMGAM
SCHEMBL3098964 0.69 GPR35 (0.58) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL29036168 0.69 MAPT (0.47) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL28388321 0.68 KDM4E (0.49) GAAKDM4EALDH1A1LMNAMAPT

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-4005098-A BRIGHTENING AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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