SCHEMBL7347496

SCHEMBL7347496

O=[C]CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLS O94925 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CHRM2 P08172 2/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL7352103 0.94 TDP1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL5818470 0.93 TDP1 (0.60) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL7349154 0.92 GLS (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL11758524 0.87 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL6790333 0.83 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4351612 0.83 TDP1 (0.66) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL5889451 0.83 MAPT (0.60) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL30797187 0.83 MAOB (0.55) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL314533 0.83 MAOB (0.55) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL29459491 0.83 MAPT (0.60) TDP1L3MBTL1MAPTRAB9ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776330-B1 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECH NV (AN) 2003-08-20 EP disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
EP-0776330-A4 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECH NV (AN) 1999-07-28 EP disclosed
US-5917016-A USEFUL AS PHOTOCLEAVABLE LINKING GROUPS IN SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1999-06-29 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0776330-A2 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1997-06-04 EP disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1996000378-A1 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed