SCHEMBL9129790

SCHEMBL9129790

Cc1cc(OCC2CC2)cc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.41
PARP10 Q53GL7 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
HTR3A P46098 2/20 0.41
KCNH2 Q12809 2/20 0.41
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PARP2 Q9UGN5 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM1A O60341 1/20 0.37
SLC6A3 Q01959 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL9669574 0.75 MAPT (0.40) MAOAMAOB
SCHEMBL6839168 0.72 CYP1A2 (0.39)
SCHEMBL10200201 0.71 ALOX5 (0.53) SLC6A2MAOAMAOBSLC6A3
SCHEMBL8221790 0.70 PARP15 (0.50) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL3718507 0.69 TLR4 (0.49) TLR4TLR2
SCHEMBL12647108 0.69 TLR4 (0.49) TLR4TLR2
SCHEMBL12247660 0.69 MAOA (0.46) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL15776314 0.69 BRD4 (0.37) BRD4
SCHEMBL29024848 0.68 PARP15 (0.64) PARP15PARP10PARP2TDP1
SCHEMBL8930160 0.67 PARP15 (0.55) PARP15PARP10PARP2KDM1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449940-B1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1995-09-13 EP claimed
US-5039808-A Chemical intermediate for antisecretory agent AKTIEBOLAGET HASSLE (SE) 1991-08-13 US claimed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 WO claimed
EP-0449940-B1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1995-09-13 EP disclosed
US-5441968-A Therapeutically active fluoro substituted benzimidazoles AKTIEBOLAGET HASSLE (SE) 1995-08-15 US disclosed
US-5274099-A A mixture of 5- and 6-fluoro-2-(((4-cyclopropylmethoxy-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole-1-yl methyl ethyl carbonate AKTIEBOLAGET HASSLE (SE) 1993-12-28 US disclosed
EP-0506759-A1 THERAPEUTICALLY ACTIVE FLUORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE AKTIEBOLAGET HÄSSLE (SE) 1992-10-07 EP disclosed
US-5049674-A Antiulcer AKTIEBOLAGET HASSLE (SE) 1991-09-17 US disclosed
US-5039808-A Chemical intermediate for antisecretory agent AKTIEBOLAGET HASSLE (SE) 1991-08-13 US disclosed
WO-1991009028-A1 THERAPEUTICALLY ACTIVE FLUORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE Aktiebolaget Hässle (SE) 1991-06-27 WO disclosed
US-5008278-A 5-fluoro-2 (4-cyclopropylmethoxy-2-pridinyl)-methyl! sulfinyl!-1h-benzimidazole for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1991-04-16 US disclosed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 WO disclosed