SCHEMBL5595103

SCHEMBL5595103

COc1cc(C=C(C#N)C(=O)c2cccs2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.74
ERBB2 P04626 1/20 0.74
MAPT P10636 7/20 0.65
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CSNK2A1 P68400 5/20 0.57
GAA P10253 3/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KLK7 P49862 2/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.55
KLK14 Q9P0G3 1/20 0.54

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
SCHEMBL10476374 0.88 EGFR (0.63) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL5595043 0.87 EGFR (0.56) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL5595037 0.87 EGFR (0.56) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL5597271 0.79 KMT2A (0.70) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL5328416 0.79 KMT2A (0.70) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL6874677 0.78 MEN1 (0.77) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL6874673 0.78 MEN1 (0.77) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL8608700 0.78 CYP1A2 (0.82) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL8608702 0.78 CYP1A2 (0.82) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL9644186 0.78 MEN1 (0.62) EGFRERBB2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP disclosed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO disclosed