SCHEMBL9165003

SCHEMBL9165003

COc1ncnc(OC)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA13 Q8N1Q1 2/20 0.49
▸ MAPT P10636 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37

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
SCHEMBL12305495 0.88 CA1 (0.45) CA1CA2CA7CA13MAPT
SCHEMBL10968449 0.87 MAPT (0.61) CA1CA2CA7CA13MAPT
SCHEMBL2786861 0.87 CA1 (0.44) CA1CA2CA7CA13MAPT
SCHEMBL28480257 0.86 CA1 (0.41) CA1CA2CA7CA13MAPT
SCHEMBL21611540 0.85 MAPT (0.49) CA1CA2CA7CA13MAPT
SCHEMBL21858751 0.83 MAPT (0.55) CA1CA2CA7CA13MAPT
SCHEMBL8297022 0.82 CA1 (0.56) CA1CA2CA7CA13MAPT
SCHEMBL21611406 0.81 ALDH1A1 (0.46) CA1CA2CA7CA13MAPT
SCHEMBL21611534 0.81 MAPT (0.56) CA1CA2CA7CA13MAPT
SCHEMBL21611475 0.81 MAPT (0.56) CA1CA2CA7CA13MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101918380-B Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and cns disorders DECODE GENETICS EHF 2014-09-24 — — CN disclosed
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 — — US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 — — EP disclosed
EP-0039037-B1 PYRIMIDYLTHIO-UREAS, MEDICINES CONTAINING THEM AND THEIR USE Beiersdorf Aktiengesellschaft (DE) 1985-01-16 — — EP disclosed
US-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 — — US disclosed
EP-0039037-A1 Pyrimidylthio-ureas, medicines containing them and their use Beiersdorf Aktiengesellschaft (DE) 1981-11-04 — — EP disclosed
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