SCHEMBL8545291

SCHEMBL8545291

CCCCc1nc(=O)c2cc(CBr)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
GPR84 Q9NQS5 5/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9423361 0.91 PARP1 (0.42) PARP1GSK3BMAPTHTTCTSV
SCHEMBL9164367 0.89 KDM4E (0.45) PARP1GSK3BMAPTHTTCTSV
SCHEMBL8540141 0.87 PARP1 (0.43) PARP1GSK3BMAPTHTTCTSV
SCHEMBL9378774 0.87 PARP1 (0.43) PARP1GSK3BMAPTHTTCTSV
SCHEMBL9305376 0.86 PARP1 (0.42) PARP1GSK3BMAPTHTTCTSV
SCHEMBL9307919 0.85 RAD52 (0.43) PARP1GSK3BMAPTHTTCTSV
SCHEMBL9052175 0.82 MAPT (0.59) PARP1GSK3BMAPTHTTKDM4E
SCHEMBL8538920 0.81 PARP1 (0.45) PARP1GSK3BMAPTHTTGPR84
SCHEMBL9374556 0.81 GSK3B (0.39) PARP1GSK3BMAPTHTTGPR84
SCHEMBL9432726 0.80 PARP1 (0.41) PARP1GSK3BMAPTHTTCTSV

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 US claimed
EP-0497150-B1 Angiotensin II receptor blocking 2,3,6-substituted quinazolones AMERICAN CYANAMID CO (US) 1998-03-18 EP disclosed
US-5405849-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
EP-0621276-A1 Angiotensin II receptor blocking 2,3,6-substituted quinazolinones AMERICAN CYANAMID COMPANY (US) 1994-10-26 EP disclosed
US-5358951-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1994-10-25 US disclosed
US-5358947-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1994-10-25 US disclosed
US-5294611-A Hypotensive, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1994-03-15 US disclosed
US-5294617-A Hypotensive, congestive heart faliure AMERICAN CYANAMID COMPANY (US) 1994-03-15 US disclosed
US-5292734-A Angiotensin II receptor blocking 2,3,6 substituted quinazolinones AMERICAN CYANAMID COMPANY (US) 1994-03-08 US disclosed
US-5290780-A Hypotensive agents; congestive heart failure AMERICAN CYANAMID CO. (US) 1994-03-01 US disclosed
US-5240928-A Hypotensive agents MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5238942-A Hypotensive agents MERCK & CO., INC. (US) 1993-08-24 US disclosed
US-5175164-A Hypotensive agents MERCK & CO., INC. (US) 1992-12-29 US disclosed
EP-0517357-A1 Angiotensin II antagonists incorporating a substituted indole or dihydroindole MERCK & CO. INC. (US) 1992-12-09 EP disclosed
EP-0512870-A1 Substituted quinazolinones bearing acidic functional groups as angiotensin II antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0512676-A1 Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO. INC. (US) 1992-11-11 EP disclosed
US-5162325-A ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1992-11-10 US disclosed
EP-0510812-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-10-28 EP disclosed
EP-0497150-A1 Angiotensin II receptor blocking 2,3,6-substituted quinazolones AMERICAN CYANAMID COMPANY (US) 1992-08-05 EP disclosed
EP-0411766-A1 Substituted quinazolinones as angiotensin II antagonists MERCK & CO. INC. (US) 1991-02-06 EP disclosed