SCHEMBL1386950

SCHEMBL1386950

COc1ccc(-c2cn[nH]c2)cc1Cl.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)cc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 5/20 0.37
ALPL P05186 1/20 0.37
PTGS1 P23219 2/20 0.37
AKT1 P31749 2/20 0.36
ROCK2 O75116 2/20 0.36
ENPP1 P22413 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
BRAF P15056 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
SCHEMBL1386302 0.88 GRM4 (0.48) GRM4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL2583282 0.80 MEN1 (0.48) GRM4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL2576666 0.74 S1PR1 (0.52) AKT1ROCK2PRKD3PRKCGPRKCB
SCHEMBL2581844 0.68 MAPT (0.62) GRM4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL2578089 0.68 MAPT (0.57) GRM4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL13906293 0.67 ACHE (0.54) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL16882335 0.67 ALDH1A1 (0.50) GRM4ALDH1A1MEN1KMT2A
SCHEMBL27463601 0.67 GRM4 (0.51) GRM4ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL2576519 0.66 KMT2A (0.45) GRM4ALDH1A1MEN1KMT2APTGS2
SCHEMBL2578063 0.65 MEN1 (0.44) GRM4ALDH1A1SMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833078-B2 2011-12-07 JP claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed