SCHEMBL7367856

SCHEMBL7367856

CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ ALDH1A1 P00352 4/20 0.63
▸ HPGD P15428 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ELANE P08246 1/20 0.61
▸ PRTN3 P24158 1/20 0.61
▸ ABCG2 Q9UNQ0 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ TSHR P16473 3/20 0.60
▸ GAA P10253 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ POLB P06746 4/20 0.59
▸ TP53 P04637 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL6709802 0.87 TSHR (0.67) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL4443911 0.85 ALOX5 (0.63) LMNAKDM4EALDH1A1MAPK1ABCG2
SCHEMBL9575455 0.84 KDM4E (0.80) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL31730773 0.84 KDM4E (0.80) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL8239760 0.83 SMN1; SMN2 (0.56) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL3506460 0.83 SMN1; SMN2 (0.61) LMNAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL14855876 0.82 ALDH1A1 (0.72) LMNAKDM4EALDH1A1MAPK1ABCG2
SCHEMBL10325817 0.82 KDM4E (0.76) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL14855680 0.82 KDM4E (0.76) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL7372951 0.82 KMT2A (0.69) LMNAALDH1A1MAPK1ABCG2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 — — US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 — — EP disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 — — US disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 — — WO disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 — — EP disclosed
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