SCHEMBL5314486

SCHEMBL5314486

COc1ccc(C(C#N)Nc2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.76
GAA P10253 6/20 0.76
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.44
SGMS2 Q8NHU3 2/20 0.44
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH3 Q9ULD8 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
SCHEMBL30731679 0.87 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL30731742 0.80 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL30731691 0.80 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL28304642 0.80 ALDH1A1 (0.88) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL28304646 0.80 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5311525 0.78 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5314276 0.78 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5313341 0.78 ALDH1A1 (0.80) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5311098 0.77 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
SCHEMBL5314490 0.77 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed