SCHEMBL9684628

SCHEMBL9684628

Cc1ccc(S(=O)(=O)N2CC(O)C[C@@H]2CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
HSD11B1 P28845 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ANPEP P15144 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
SCHEMBL2389980 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL2389473 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL9865528 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL9211270 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL9380136 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL9685672 1.00 MCOLN3 (0.50) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL3943471 0.87 MCOLN3 (0.49) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL4012734 0.87 MCOLN3 (0.49) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL8474798 0.86 POLB (0.50) MCOLN3L3MBTL1POLBKMT2AALDH1A1
SCHEMBL8211350 0.85 MMP3 (0.57) POLBALDH1A1MMP2MMP1MMP13

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