SCHEMBL9686466

SCHEMBL9686466

Cc1ccc(S(=O)(=O)OC2CC(CO)N(S(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4595283 1.00 CYP2D6 (0.47) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL1569029 0.90 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL1569030 0.90 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL9214135 0.90 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL4036920 0.81 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL6906071 0.81 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL6906066 0.81 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL4036915 0.81 CYP2D6 (0.46) CYP2D6POLBALDH1A1KMT2ALMNA
SCHEMBL8474798 0.81 POLB (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL10845796 0.81 CYP2D6 (0.47) CYP2D6POLBALDH1A1KMT2ALMNA

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
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed