SCHEMBL7782932

SCHEMBL7782932

CC(=O)N[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
GAA P10253 3/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
MAPT P10636 4/20 0.49
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3793320 0.86 GAA (0.48) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL3793317 0.86 GAA (0.48) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL29970168 0.85 GAA (0.50) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL29029154 0.85 GAA (0.50) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL7423587 0.83 MGLL (0.53) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL4683792 0.82 GAA (0.60) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL2390983 0.82 MAPT (0.55) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL29401387 0.82 MAPT (0.55) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL2390989 0.82 MAPT (0.55) HTR2AGAABCL9CTNNB1MAPT
SCHEMBL4752026 0.81 GAA (0.58) HTR2AGAABCL9CTNNB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713093-B1 Improved methodology for colorimetrically determining the concentration of white blood cells in a biological fluid BAYER AG (US) 2001-10-10 EP disclosed
US-5663044-A Methodology for colorimetrically determining the concentration of white blood cells in a biological fluid BAYER CORPORATION (US) 1997-09-02 US disclosed
EP-0713093-A2 Improved methodology for colorimetrically determining the concentration of white blood cells in a biological fluid Bayer Corporation (US) 1996-05-22 EP disclosed
EP-0157327-B1 NOVEL COMPOUNDS FOR DETECTING THE PRESENCE OF HYDROLYTIC ANALYTES IN A TEST SAMPLE MILES INC. (US) 1991-06-12 EP disclosed
EP-0158204-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, CONTAINING A ZWITTERION COUPLING AGENT MILES INC. (US) 1989-11-23 EP disclosed
EP-0157326-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, ESTERASE AND PROTEASE IN A TEST SAMPLE MILES INC. (US) 1989-05-31 EP disclosed
US-4774340-A AMINATION, CYCLIZATION, ESTERIFICATION MILES INC. (US) 1988-09-27 US disclosed
US-4704460-A LEUKOCYTES IN URINE MILES LABORATORIES, INC. (US) 1987-11-03 US disclosed
US-4657855-A DIP-AND-READ, UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-04-14 US disclosed
US-4645842-A DETECTING LEUKOCYTES TO INDICATE KIDNEY OR UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-02-24 US disclosed
US-4637979-A Composition and test device for determining the presence of leukocytes containing a zwitterion coupling agent MILES LABORATORIES, INC. (US) 1987-01-20 US disclosed
EP-0158204-A2 Composition and test device for determining the presence of leukocytes, containing a zwitterion coupling agent MILES INC. (US) 1985-10-16 EP disclosed
EP-0157327-A2 Novel compounds for detecting the presence of hydrolytic analytes in a test sample MILES INC. (US) 1985-10-09 EP disclosed
EP-0157326-A2 Composition and test device for determining the presence of leukocytes, esterase and protease in a test sample MILES INC. (US) 1985-10-09 EP disclosed