SCHEMBL5595450

SCHEMBL5595450

COc1cc(C=C(C#N)C(=O)c2cc(C)oc2C)cc(OC)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
MEN1 O00255 7/20 0.56
MAPT P10636 6/20 0.56
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
DNM1 Q05193 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
BLM P54132 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RGS12 O14924 2/20 0.50
GMNN O75496 2/20 0.50
USP2 O75604 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 2/20 0.50
NFKB1 P19838 2/20 0.50
GNAI1 P63096 2/20 0.50
PMP22 Q01453 2/20 0.50

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
SCHEMBL10476360 0.87 MEN1 (0.60) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5594864 0.85 KMT2A (0.49) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5604915 0.81 CYP1A2 (0.47) KMT2AKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5604921 0.81 CYP1A2 (0.47) KMT2AKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5595188 0.78 EGFR (0.62) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL8749247 0.76 DNM1 (0.61) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5164387 0.76 DNM1 (0.61) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5594977 0.74 KMT2A (0.57) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL23530140 0.74 ALDH1A1 (0.75) KMT2AMEN1MAPTDNM1ALDH1A1
SCHEMBL2211505 0.74 ALDH1A1 (0.75) KMT2AMEN1MAPTDNM1ALDH1A1

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