SCHEMBL739095

SCHEMBL739095

COCCCNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.64
▸ LMNA P02545 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ ALPG P10696 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.56
▸ HTR6 P50406 1/20 0.55
▸ FBP1 P09467 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ KAT2B Q92831 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2220740 0.96 MAPT (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10576590 0.93 LMNA (0.68) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL762553 0.87 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL8313477 0.86 KAT2B (0.69) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL741469 0.85 MAPT (0.70) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL6474886 0.85 LMNA (0.57) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL1046670 0.85 LMNA (0.57) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL7745956 0.85 LMNA (0.57) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL29392855 0.84 KAT2B (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10580319 0.84 MAPT (0.58) MAPTLMNASMN1; SMN2TDP1ALPG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
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