SCHEMBL9631140

SCHEMBL9631140

CCN(CCS(=O)(=O)O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
LTA4H P09960 1/20 0.35
TEAD1 P28347 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6311459 0.91 ESR1 (0.39) CYP3A4LMNAESR1ALDH1A1TP53
Water SCHEMBL28929336 0.88 ESR1 (0.38) CYP3A4LMNAESR1ALDH1A1TP53
Sulfuric Acid SCHEMBL9134499 0.84 KMT2A (0.42) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL9768909 0.79 LMNA (0.44) LMNAESR1ALDH1A1TP53MAPT
SCHEMBL11528402 0.79 CYP3A4 (0.36) CYP3A4ESR1ALDH1A1TSHRKMT2A
SCHEMBL6850621 0.78 TSHR (0.47) ESR1ALDH1A1TSHRMAPTKMT2A
SCHEMBL8217171 0.78 ALDH1A1 (0.35) CYP3A4LMNAESR1ALDH1A1TP53
Sulfuric Acid SCHEMBL7553547 0.78 POLB (0.38) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL8048472 0.78 CYP3A4 (0.42) CYP3A4LMNAESR1ALDH1A1TP53
Methanesulfonamide SCHEMBL11382859 0.77 ESR1 (0.47) CYP3A4LMNAESR1ALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184437-B1 COLOR-FORMING COUPLERS AND THEIR USE IN THE ANALYTICAL DETERMINATION OF HYDROGEN PEROXIDE OR OTHER ANALYTES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-05-13 EP disclosed
US-4672029-A SENSITIVE AT LOW CONCENTRATIONS EASTMAN KODAK COMPANY (US) 1987-06-09 US disclosed
EP-0184437-A2 Color-forming couplers and their use in the analytical determination of hydrogen peroxide or other analytes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-06-11 EP disclosed