SCHEMBL5313341

SCHEMBL5313341

COc1ccc(C(C#N)Nc2ccc(SC)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.80
GAA P10253 5/20 0.80
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 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
SCHEMBL30731679 0.89 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5311963 0.85 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5310969 0.84 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5311403 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2SGMS2CYP1A2
SCHEMBL5309701 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL30731691 0.82 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5314512 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL30731742 0.82 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL28304642 0.82 ALDH1A1 (0.88) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL28304646 0.82 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2

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
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed