SCHEMBL5594977

SCHEMBL5594977

COc1cc(C=C(C#N)C(=O)c2ccco2)cc(OC)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RGS12 O14924 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
ALPL P05186 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL5594866 0.88 CAPN1 (0.60) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5164387 0.76 DNM1 (0.61) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL8749247 0.76 DNM1 (0.61) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL10476374 0.76 EGFR (0.63) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5594581 0.75 CYP2C9 (0.47) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5594579 0.75 CYP2C9 (0.47) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5595450 0.74 KMT2A (0.56) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5594942 0.73 MIF (0.51) KMT2AMEN1KDM4EALPLALPI
SCHEMBL7820542 0.71 DNM1 (0.70) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL7820539 0.71 DNM1 (0.70) KMT2AMEN1MAPTPOLBSMN1; SMN2

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