SCHEMBL8577942

SCHEMBL8577942

O=C(O)CCCCCN(C(=O)c1c2ccccc2nc2cccc(Cc3ccccc3)c12)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8578075 0.92 LMNA (0.36) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL8575015 0.91 LMNA (0.37) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL8576213 0.89 ALDH1A1 (0.44) KMT2AMEN1KEAP1NFE2L2MAPT
SCHEMBL9349485 0.87 KEAP1 (0.46) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL8574639 0.78 KEAP1 (0.46) KMT2AMEN1KEAP1NFE2L2POLB
SCHEMBL8574327 0.77 KEAP1 (0.47) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL8579843 0.76 KEAP1 (0.46) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL9353291 0.76 MAPK1 (0.48) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL18114374 0.74 KEAP1 (0.48) KMT2AHTTMEN1KEAP1NFE2L2
SCHEMBL8982089 0.72 KDM4E (0.44) KDM4EMAPK1LMNA

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 6 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