SCHEMBL8577655

SCHEMBL8577655

CCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
ELANE P08246 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8577857 0.84 MEN1 (0.51) KEAP1NFE2L2MEN1KMT2ANPSR1
SCHEMBL8579843 0.79 KEAP1 (0.46) KEAP1NFE2L2ELANEMEN1KMT2A
SCHEMBL8574670 0.77 C1R (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8577910 0.76 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL18114374 0.75 KEAP1 (0.48) KEAP1NFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL29088351 0.75 PRNP (0.36) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL8576030 0.74 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8574327 0.74 KEAP1 (0.47) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL8574639 0.73 KEAP1 (0.46) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL9353204 0.72 KEAP1 (0.50) KEAP1NFE2L2MEN1KMT2AALDH1A1

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