SCHEMBL27709889

SCHEMBL27709889

CC(Br)c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PTGS2 P35354 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
GLA P06280 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PTGS1 P23219 1/20 0.36
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36

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
SCHEMBL807270 0.85 LMNA (0.47) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL27709890 0.83 PTGDR2 (0.39) ALDH1A1MAPT
SCHEMBL27690016 0.80 AKR1C3 (0.38) LMNAPTGS2ALDH1A1AKR1C3AKR1C2
SCHEMBL13055320 0.79 LMNA (0.42) LMNAPTGS2ALDH1A1MAPTGLA
SCHEMBL28766217 0.75 KIF11 (0.45) PTGS2LRRK2PTGS1
SCHEMBL755309 0.74 LMNA (0.60) LMNAPTGS2ALDH1A1MAPTGLA
SCHEMBL9988774 0.73 LMNA (0.50) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL30526834 0.73 LMNA (0.50) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL399056 0.73 LMNA (0.46) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL7626733 0.73 KMT2A (0.46) LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384672-A N-substituted oxazinopteridines and oxazinopteridinones TAKAEDA CHEMICAL IND LTD 2013-11-06 CN disclosed
CN-101553483-B 2-(piperidin-4-yl)-4-phenoxy-or phenylamino-pyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2013-04-17 CN disclosed
CN-102869660-A Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV 2013-01-09 CN disclosed
CN-101035786-B Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG 2012-08-29 CN disclosed
CN-102603581-A PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC 2012-07-25 CN disclosed
CN-101243084-B Pyrrolo [2,3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC 2012-03-07 CN disclosed
CN-102206216-A Pyrrolo[2,3-B] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC 2011-10-05 CN disclosed
CN-101553483-A 2-(piperidin-4-yl)-4-phenoxy-or phenylamino-pyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed
CN-101309921-A Use of pyrrolo[2,3-B]pyridines to prepare a medicament for treating pain NOVARTIS AG (CH) 2008-11-19 CN disclosed
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 CN disclosed
CN-101035786-A Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2007-09-12 CN disclosed