SCHEMBL2725902

SCHEMBL2725902

COc1cc(OC)cc(C(/C(=C(\C#N)c2c[nH]c3ccc(OC)cc23)c2cc(OC)cc(OC)c2)=C(/C#N)c2c[nH]c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 2/20 0.58
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
NPC1 O15118 2/20 0.54
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
DYRK1A Q13627 2/20 0.49
TUBB1 Q9H4B7 1/20 0.49
NR4A2 P43354 1/20 0.49
CLK1 P49759 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
IGF1R P08069 1/20 0.43

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
SCHEMBL2725962 0.89 KIF20A (0.56) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2727891 0.87 MEN1 (0.48) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2728075 0.87 KIF20A (0.56) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2724741 0.83 GABRP (0.48) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2726053 0.83 MEN1 (0.46) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2727478 0.81 KIF20A (0.44) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2725570 0.80 KIF20A (0.43) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2726433 0.79 KIF20A (0.59) KIF20AMEN1KMT2ANPC1NPSR1
SCHEMBL2725308 0.79 KIF20A (0.63) KIF20ADYRK1ACLK1MAPTPOLB
SCHEMBL13302221 0.76 NPSR1 (0.72) MEN1KMT2ANPC1NPSR1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP claimed
EP-2445497-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2012-05-02 EP claimed
WO-2010150211-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-29 WO claimed
EP-2266562-A1 Use of derivatives of indoles for the treatment of cancer Centre National de la Recherche Scientifique (FR) 2010-12-29 EP claimed
EP-2445497-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2012-05-02 EP disclosed
WO-2010150211-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-29 WO disclosed