SCHEMBL6640602

SCHEMBL6640602

COc1cc(C=O)ccc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 2/20 0.56
TRIM24 O15164 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
CHEK1 O14757 1/20 0.53
AOX1 Q06278 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FDPS P14324 1/20 0.49
EPHX1 P07099 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL29951436 0.87 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL6670831 0.87 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL29957219 0.82 APP (0.44) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL6646569 0.82 KDM4E (0.66) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL6645263 0.82 EPHX2 (0.65) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL10632159 0.82 MEN1 (0.49) ALDH1A1TSHRTDP1HSD17B1HSD17B2
SCHEMBL6646570 0.82 KDM4E (0.66) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL6645267 0.82 EPHX2 (0.65) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL10632153 0.82 MEN1 (0.49) ALDH1A1TSHRTDP1HSD17B1HSD17B2
SCHEMBL29955743 0.81 KDM4E (0.52) ALDH1A1TSHRHPGDTRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed