SCHEMBL571371

SCHEMBL571371

COc1ccc2c(C(=O)CBr)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
MTNR1A P48039 5/20 0.50
CNR2 P34972 4/20 0.50
MTNR1B P49286 3/20 0.50
HPGDS O60760 1/20 0.49
GSK3B P49841 1/20 0.49
AURKA O14965 2/20 0.48
MET P08581 2/20 0.48
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
AURKB Q96GD4 1/20 0.48
CDC25B P30305 1/20 0.48
NQO2 P16083 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
SCHEMBL11470996 0.87 CNR2 (0.54) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL12592163 0.85 MAPT (0.58) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL2510203 0.81 CDC25B (0.64) PTPN1MTNR1ACNR2MTNR1BAURKA
SCHEMBL31613816 0.81 CDC25B (0.64) PTPN1MTNR1ACNR2MTNR1BAURKA
SCHEMBL9747620 0.81 MTNR1A (0.55) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL6543394 0.81 HPGDS (0.57) PTPN1MTNR1AHPGDSGSK3BAURKA
SCHEMBL2237855 0.80 MTNR1A (0.56) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL31613069 0.80 KDR (0.67) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL2509951 0.80 MTNR1A (0.52) MTNR1ACNR2MTNR1BAURKAMET
SCHEMBL11587837 0.79 PTPN1 (0.72) PTPN1HPGDSGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601048-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS The Sun Products Corporation (US) 2013-06-12 EP disclosed
WO-2012104225-A1 DERIVATIZATION OF RADIOPHARMACEUTICALS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-09 WO disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 WO disclosed
US-4902799-A HYPOTENSIVE, HYPOLIPEMIC, ANTIANOXIC, SPASMOLYTIC, PLATELET AGGREGATION INHIBITING, ANTITHROMBOTIC, CALCIUM ANTAGONIZING, NEUROLEPTIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1990-02-20 US disclosed