SCHEMBL10977375

SCHEMBL10977375

Cc1cc(NCCO)nc(Nc2ccc(O)cc2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.55
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
GAA P10253 3/20 0.47
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL534221 0.83 AURKA (0.69) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9299773 0.82 ALDH1A1 (0.60) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10977405 0.81 AURKA (0.53) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10985286 0.81 ALDH1A1 (0.57) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9324805 0.79 ALDH1A1 (0.55) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5728690 0.78 ALDH1A1 (0.50) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10976698 0.77 ALDH1A1 (0.62) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10613602 0.77 CASP3 (0.51) AURKAALDH1A1KDM4EHSD17B10GAA
SCHEMBL11030558 0.76 ALDH1A1 (0.61) AURKAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11122384 0.76 ALDH1A1 (0.61) AURKAALDH1A1KDM4EHPGDHSD17B10

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
US-4515716-A COLORFAST ORANGE TO BLUE SHADES MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-05-07 US disclosed