SCHEMBL1007355

SCHEMBL1007355

BrCCCc1ccccc1.[MgH2]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
SIGMAR1 Q99720 3/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
ADRA1A P35348 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTR2A P28223 1/20 0.50
TRPA1 O75762 1/20 0.50
TSHR P16473 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL81831 0.97 TDP1 (0.70) TDP1SIGMAR1MAOAMAOBADRA1A
Ammonia Solution, Strong SCHEMBL27512246 0.95 TDP1 (0.67) TDP1SIGMAR1MAOAMAOBADRA1A
Hydrochloric Acid SCHEMBL28970403 0.95 TDP1 (0.67) TDP1SIGMAR1MAOAMAOBADRA1A
Phosphine SCHEMBL7322770 0.95 TDP1 (0.67) TDP1SIGMAR1MAOAMAOBADRA1A
Fluoride Ion SCHEMBL5446842 0.92 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBADRA1A
Ethylene SCHEMBL28160202 0.92 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBADRA1A
SCHEMBL9460180 0.92 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBADRA1A
SCHEMBL9092107 0.90 TDP1 (0.61) TDP1SIGMAR1MAOAMAOBNPC1
Propane SCHEMBL28091962 0.90 TDP1 (0.61) TDP1SIGMAR1MAOAMAOBADRA1A
SCHEMBL28792071 0.90 TDP1 (0.67) TDP1SIGMAR1MAOAMAOBADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP claimed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US claimed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP claimed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO claimed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO claimed
CN-116199610-B Compounds having glycosidase inhibitory activity, salts and hydrates thereof and use thereof 中国科学院化学研究所 2025-03-25 CN disclosed
CN-116199610-A Compounds having glycosidase inhibitory activity, salts and hydrates thereof and use thereof 中国科学院化学研究所 2023-06-02 CN disclosed
US-9469657-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2016-10-18 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2748171-B1 PYRANO [3, 2 - D][1, 3]THIAZOLE AS GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2016-02-03 EP disclosed
CN-103347510-B Lysophosphatidic acid receptor antagonists and their use in the treatment of fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2015-11-25 CN disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-0512865-A2 Novel cholesterol lowering compounds MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 US disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 EP disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed
US-3931196-A Phosphinolines and phosphindolines MONASH UNIVERSITY (AU) 1976-01-06 US disclosed