SCHEMBL5595037

SCHEMBL5595037

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
ERBB2 P04626 1/20 0.56
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.52
PKM P14618 2/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
XDH P47989 1/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL5595043 1.00 EGFR (0.56) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL5595103 0.87 EGFR (0.74) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL13678121 0.81 XDH (0.58) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL10476374 0.78 EGFR (0.63) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL13678116 0.77 ALDH1A1 (0.59) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL1552823 0.76 MAOB (0.63) MAPTALDH1A1MEN1KMT2AXDH
SCHEMBL1552825 0.76 MAOB (0.63) MAPTALDH1A1MEN1KMT2AXDH
SCHEMBL13678178 0.76 KLK7 (0.53) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL5594916 0.74 ALDH1A1 (0.48) EGFRERBB2MAPTALDH1A1MEN1
SCHEMBL5594913 0.74 ALDH1A1 (0.48) 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