SCHEMBL5154906

SCHEMBL5154906

COc1cccc(-c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HTR7 P34969 2/20 0.47
CHRM4 P08173 1/20 0.47
DRD2 P14416 1/20 0.47
SERPINE1 P05121 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.42
GFER P55789 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL5157543 0.81 KDM4E (0.47) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5158461 0.81 KMT2A (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5157388 0.81 KDM4E (0.48) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5155216 0.80 MAOA (0.48) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5158044 0.77 TUBB4A (0.59) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5158018 0.77 MAOA (0.43) HTR7MAPTMEN1KMT2AKDM4E
SCHEMBL5289407 0.76 TUBB4A (0.68) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL5157286 0.75 TUBB4A (0.64) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL5158006 0.74 MAOA (0.48) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5157758 0.74 TUBB4A (0.63) MTNR1AMTNR1BMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746087-A1 Derivates of 3-indolylmethylene having cytostatic properties Universitaet Regensburg (DE) 2007-01-24 EP disclosed