SCHEMBL8577857

SCHEMBL8577857

CCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CNR2 P34972 2/20 0.45
C1R P00736 1/20 0.43
PRSS1 P07477 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AGTR1 P30556 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL18114374 0.90 KEAP1 (0.48) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8579843 0.90 KEAP1 (0.46) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8574327 0.89 KEAP1 (0.47) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8574639 0.88 KEAP1 (0.46) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL9353204 0.87 KEAP1 (0.50) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8574670 0.87 C1R (0.47) MEN1KMT2AC1RGAATDP1
SCHEMBL8577655 0.84 KEAP1 (0.48) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8578103 0.82 C5AR1 (0.49) MEN1KMT2AKEAP1NFE2L2CNR2
SCHEMBL17268342 0.81 MEN1 (0.39) MEN1KMT2AATMKEAP1NFE2L2
SCHEMBL8577910 0.80 MEN1 (0.43) MEN1KMT2AGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783699-A MAY BE CONJUGATED TO ANTIGENS, HAPTENS, ANTIBODIES IN IMMUNOASSAYS ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5669819-A IMMUNOASSAY ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5565570-A REACTING AMINE WITH SULFONYL HALIDE IN INERT SOLVENT IN PRESENCE OF BASE TO FORM METAL SALT OF SULFONAMIDE, ACYLATING WITH ACTIVATED PHENANTHRIDINE-6-CARBOXYLIC ACID TO FORM CHEMILUMINESCENT SALT ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
US-5545739-A E.G., 5-METHYL-6-(N-2-CARBOXYETHYL-N=(2-CARBOXYETHYL)-PHENANTHRIDIN IUMCARBOXAMIDE CHLORIDE; IMMUNOASSAYS; STABILITY; SENSITIVITY ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5543524-A FORMING A SULFONAMIDE FROM AND AMINE AND A SULFONYL HALIDE AND AND ACYLATING WITH A CARBONYL HALIDE OF AN ACTIVATED ACRIDINE SALT ABBOTT LABORATORIES (US) 1996-08-06 US disclosed
US-5468646-A Chemiluminescent acridinium salts ABBOTT LABORATORIES (US) 1995-11-21 US disclosed
EP-0273115-B1 Chemiluminescent acridinium and phenanthridinium salts ABBOTT LAB (US) 1994-09-07 EP disclosed