SCHEMBL5311963

SCHEMBL5311963

CSc1ccc(NC(C#N)c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.34
LMNA P02545 3/20 0.33
SGMS2 Q8NHU3 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5313341 0.85 ALDH1A1 (0.80) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5314512 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5309701 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5310969 0.80 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5310555 0.80 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5311403 0.79 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL12148516 0.76 CYP1A1 (0.44) ALDH1A1GAAKMT2AMEN1MAPK1
SCHEMBL5309618 0.74 CA2 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5311480 0.74 CA2 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL30731679 0.74 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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