SCHEMBL8577911

SCHEMBL8577911

O=C(c1c2ccccc2nc2ccccc12)N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.49
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL8985985 0.92 C1R (0.47) C1RMAPTKMT2AMEN1MAPK1
SCHEMBL8144973 0.90 HSP90AA1 (0.53) C1RMAPTKMT2AMEN1MAPK1
SCHEMBL8574594 0.84 KEAP1 (0.48) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL8136893 0.84 TP53 (0.49) C1RMAPTKMT2AKDM4EHTT
SCHEMBL8577639 0.82 KMT2A (0.43) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL8574670 0.78 C1R (0.47) C1RMAPTKMT2AMEN1MAPK1
SCHEMBL8143169 0.77 TP53 (0.42) C1RMAPTKMT2AMEN1HTT
SCHEMBL4896092 0.77 KMT2A (0.67) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL9353291 0.76 MAPK1 (0.48) C1RMAPTKMT2AMEN1MAPK1
Bromide SCHEMBL8469205 0.76 TP53 (0.52) C1RMAPTKMT2AMAPK1KDM4E

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