SCHEMBL3870166

SCHEMBL3870166

CCc1cc(C#N)c(C#N)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL3871975 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2MAPTHPGD
SCHEMBL12763605 0.79 KDM4E (0.33) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL16863718 0.79 ALDH1A1 (0.33) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL12763598 0.79 SELE (0.37) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL10273104 0.79 ALDH1A1 (0.31) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL3870859 0.78 TSHR (0.38) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL3871969 0.78 TSHR (0.38) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL3872578 0.78 TSHR (0.38) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL4840749 0.78 GAA (0.41) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL22833057 0.78 MME (0.44) ALDH1A1KDM4EUSP2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138545-B1 USE OF PORPHYRAZINE DERIVATIVE AS SEMICONDUCTOR UNIV HIROSHIMA (JP) 2014-01-08 EP disclosed
EP-2138545-B1 USE OF PORPHYRAZINE DERIVATIVE AS SEMICONDUCTOR UNIV HIROSHIMA (JP) 2014-01-08 EP disclosed
EP-2664655-A1 Novel synthesis for 5-alkyl-2,3-dihalogenthiophenes Hiroshima University (JP) 2013-11-20 EP disclosed
EP-2138545-A1 NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, METHOD FOR PRODUCTION OF NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, AND USE OF PORPHYRAZINE DERIVATIVE Hiroshima University (JP) 2009-12-30 EP disclosed
EP-2138545-A1 NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, METHOD FOR PRODUCTION OF NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, AND USE OF PORPHYRAZINE DERIVATIVE Hiroshima University (JP) 2009-12-30 EP disclosed