SCHEMBL5070438

SCHEMBL5070438

Cn1c2ccccc2c2cnc(N)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
PABPC1 P11940 1/20 0.50
KIF11 P52732 1/20 0.46
LIMK1 P53667 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44

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
SCHEMBL13100683 0.81 GPR3 (0.57) GPR3PABPC1KIF11GABRPGABRD
SCHEMBL23371952 0.77 GPR3 (0.52) GPR3PABPC1KIF11GABRPGABRD
SCHEMBL3423941 0.75 GPR3 (0.80) GPR3PABPC1KIF11KDM4EALDH1A1
SCHEMBL3880532 0.74 PABPC1 (0.70) GPR3PABPC1KIF11LIMK1KDM4E
SCHEMBL3875050 0.74 GPR3 (0.64) GPR3PABPC1KIF11KDM4EALDH1A1
SCHEMBL29461528 0.74 GPR3 (1.00) GPR3PABPC1KIF11KDM4EALDH1A1
SCHEMBL29321 0.74 GPR3 (1.00) GPR3PABPC1KIF11KDM4EALDH1A1
SCHEMBL9889048 0.73 GPR3 (0.76) GPR3PABPC1KIF11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31174327 0.72 GPR3 (0.94) GPR3PABPC1KIF11KDM4EALDH1A1
SCHEMBL18381839 0.72 GPR3 (0.94) GPR3PABPC1KIF11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3893941-A1 MICROBIOTA METABOLITES THAT SHAPE HOST PHYSIOLOGY Yale University (US) 2021-10-20 EP claimed
WO-2020123376-A1 MICROBIOTA METABOLITES THAT SHAPE HOST PHYSIOLOGY YALE UNIVERSITY (US) 2020-06-18 WO claimed
EP-3893941-A1 MICROBIOTA METABOLITES THAT SHAPE HOST PHYSIOLOGY Yale University (US) 2021-10-20 EP disclosed
WO-2020123376-A1 MICROBIOTA METABOLITES THAT SHAPE HOST PHYSIOLOGY YALE UNIVERSITY (US) 2020-06-18 WO disclosed
EP-3328498-A1 HERBAL COMBINATIONS FOR TREATING PSORIASIS Sirbal Ltd. (CY) 2018-06-06 EP disclosed
WO-2017019651-A1 HERBAL COMBINATIONS FOR TREATING PSORIASIS SIRBAL LTD. (CY) 2017-02-02 WO disclosed
WO-2017003430-A1 MOLECULAR AND HERBAL COMBINATIONS WITH METHOTREXATE FOR TREATING DISEASES AND INFLAMMATORY AILMENTS SIRBA LTD. (CY) 2017-01-05 WO disclosed
EP-3076984-A1 HERBAL COMBINATIONS FOR TREATMENT OF A SKIN CONDITION Sirbal Ltd. (CY) 2016-10-12 EP disclosed
WO-2015082950-A1 HERBAL COMBINATIONS FOR TREATMENT OF A SKIN CONDITION SIRBAL LTD. (CY) 2015-06-11 WO disclosed
EP-1954838-A2 CODED MOLECULES FOR DETECTING TARGET ANALYTES Applera Corporation (US) 2008-08-13 EP disclosed
WO-2007120265-A2 CODED MOLECULES FOR DETECTING TARGET ANALYTES APPLERA CORPORATION (US) 2007-10-25 WO disclosed
WO-2004064725-A2 ORAL COMPOSITIONS AND METHODS FOR TREATMENT OF ADVERSE EFFECTS OR RADIATION THE QUIGLEY CORPORATION (US) 2004-08-05 WO disclosed
EP-1409681-A2 PROTEINS AND NUCLEIC ACIDS ENCODING SAME Curagen Corporation (US) 2004-04-21 EP disclosed
WO-2003051287-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATMENT OF ADVERSE EFFECTS OF IONIZING RADIATION THE QUIGLEY CORPORATION (US) 2003-06-26 WO disclosed
WO-2003039452-A2 NUTRITIONAL SUPPLEMENTS AND METHODS FOR PREVENTION, REDUCTION AND TREATMENT OF RADIATION INJURY THE QUIGLEY CORPORATION (US) 2003-05-15 WO disclosed
EP-1296714-A2 METHODS FOR ENHANCING ANTIBODY-INDUCED CELL LYSIS AND TREATING CANCER UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-04-02 EP disclosed
WO-2002068649-A2 PROTEINS AND NUCLEIC ACIDS ENCODING SAME CURAGEN CORPORATION (US) 2002-09-06 WO disclosed
WO-2001097843-A2 METHODS FOR ENHANCING ANTIBODY-INDUCED CELL LYSIS AND TREATING CANCER UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2001-12-27 WO disclosed
EP-0090610-A2 A method for treatment of mutagens SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
EP-0040641-A1 PROCESS FOR ISOLATING AND PURIFYING A FRACTION CAPABLE OF INHIBITING MUTAGENICITY OF A MUTAGENIC MATERIAL FROM BURDOCK JUICE KANEBO, LTD. (JP) 1981-12-02 EP disclosed