SCHEMBL11712369

SCHEMBL11712369

NNc1c(-c2c[nH]nn2)c(=O)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 13/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
Hydrochloric Acid SCHEMBL11712218 0.99 KDM4E (0.41) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL11711318 0.83 GAA (0.51) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL11499675 0.79 CLK4 (0.42) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL11717071 0.72 KDM4E (0.42) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL27893839 0.69 NQO1 (0.46) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL29036168 0.66 MAPT (0.47) KDM4EMAPTALDH1A1GAAALOX15
SCHEMBL3098964 0.66 GPR35 (0.58) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL27900521 0.65 MAOA (0.36) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL28038308 0.64 ERAP1 (0.37) KDM4EMAPTALDH1A1HTTLMNA
SCHEMBL11713258 0.63 MAOB (0.45) KDM4EMAPTALDH1A1GAAHPGD

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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