SCHEMBL8577910

SCHEMBL8577910

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
VCAM1 P19320 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL8576030 0.89 ALDH1A1 (0.42) MEN1KMT2AVCAM1CYP1A2CYP3A4
SCHEMBL8574670 0.84 C1R (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8576144 0.80 KMT2A (0.44) MEN1KMT2AMAPTGAANPSR1
SCHEMBL8577857 0.80 MEN1 (0.51) MEN1KMT2AGAANPSR1
SCHEMBL8579843 0.79 KEAP1 (0.46) MEN1KMT2AMAPTGAALMNA
SCHEMBL8577639 0.78 KMT2A (0.43) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8577655 0.76 KEAP1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29088351 0.74 PRNP (0.36) MEN1KMT2AALDH1A1NPSR1
SCHEMBL9353291 0.73 MAPK1 (0.48) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL15677746 0.72 KMT2A (0.64) MEN1KMT2AVCAM1MAPTALDH1A1

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