SCHEMBL672823

SCHEMBL672823

CCCCc1nc2c(Cc3ccccc3Cl)cc(C(=O)OCC)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PTGES O14684 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 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
SCHEMBL7670039 0.87 HTT (0.37) POLBHTT
SCHEMBL3707018 0.72 ACACB (0.43) SIRT2SIRT1SIRT3MAPTALDH1A1
SCHEMBL7670043 0.71 PARP1 (0.40) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL7307354 0.70 MAPT (0.43) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL1160391 0.70 PPARG (0.42) PDE3BPDE3ASMN1; SMN2
SCHEMBL9169051 0.70 ALDH1A1 (0.47) SIRT2SIRT1SIRT3MAPTALDH1A1
SCHEMBL9509544 0.69 APLNR (0.40) ALOX5PTGESMAPTALDH1A1LMNA
SCHEMBL28161278 0.68 PARP1 (0.41) MAPTLMNAKDM4EHTT
SCHEMBL7508230 0.67 CYP1A2 (0.38) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL9512926 0.67 HPGD (0.41) MAPTLMNAKDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
EP-1956906-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS CombinatoRx, Incorporated (US) 2008-08-20 EP disclosed
WO-2007056457-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2007-05-18 WO disclosed
EP-1027057-A4 TREATMENT OF FEMALE SEXUAL DYSFUNCTION VIVUS INC (US) 2003-01-02 EP disclosed
EP-1027054-A4 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS INC (US) 2002-11-04 EP disclosed
EP-1237577-A2 TRANSMUCOSAL COMPOSITION CONTAINING A PHOSPHODIESTERASE INHIBITOR FOR THE TREATMENT OF ERECTILE DYSFUNCTION Vivus, Inc. (US) 2002-09-11 EP disclosed
EP-1216039-A2 NOVEL COMBINATION FOR THE TREATMENT OF SEXUAL DYSFUNCTION Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001070211-A2 L-ARGININE AND PHOSPHODIESTERASE (PDE) INHIBITOR SYNERGISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-09-27 WO disclosed
WO-2001041807-A2 TRANSMUCOSAL COMPOSITION CONTAINING A PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 2001-06-14 WO disclosed
WO-2001019357-A2 COMBINATION PREPARATION FOR THE TREATMENT OF SEXUAL DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-1027054-A1 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Vivus, Inc. (US) 2000-08-16 EP disclosed
EP-1027057-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION Asivi, LLC (US) 2000-08-16 EP disclosed
WO-1999021562-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION ASIVI, LLC (US) 1999-05-06 WO disclosed
WO-1999021558-A2 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 1999-05-06 WO disclosed