SCHEMBL8575984

SCHEMBL8575984

O=C(c1c2ccccc2nc2ccccc12)N(c1ccccc1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.37
ALDH1A1 P00352 2/20 0.36
DHODH Q02127 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
TACR3 P29371 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ELANE P08246 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8576839 0.80 TSHR (0.40) PDE10AALDH1A1DHODHTSHRMEN1
SCHEMBL11870700 0.77 MLYCD (0.48) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL11336181 0.75 KMT2A (0.41) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL2033767 0.75 KMT2A (0.41) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL8574594 0.75 KEAP1 (0.48) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL8136893 0.75 TP53 (0.49) ALDH1A1KDM4ELMNAHPGDATM
Trifluoromethanesulfonic Acid SCHEMBL2991025 0.73 PDE10A (0.50) PDE10AALDH1A1DHODHKDM4EGLA
Trifluoromethanesulfonic Acid SCHEMBL2991019 0.73 PDE10A (0.50) PDE10AALDH1A1DHODHKDM4EGLA
SCHEMBL19890709 0.72 KMT2A (0.40) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL8577911 0.72 C1R (0.49) ALDH1A1KDM4EGLALMNAATM

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