SCHEMBL22036232

SCHEMBL22036232

CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(NOC)cc4Cl)o3)C(=O)N=C2S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNRNP200 O75643 2/20 0.56
MEN1 O00255 11/20 0.48
KMT2A Q03164 11/20 0.48
POLB P06746 10/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
RECQL P46063 3/20 0.48
BLM P54132 3/20 0.48
THRB P10828 3/20 0.48
MCL1 Q07820 3/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
ESR2 Q92731 1/20 0.48
NSD2 O96028 1/20 0.44
ESR1 P03372 1/20 0.44
CTDSP1 Q9GZU7 3/20 0.44
EIF4A3 P38919 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
SCHEMBL22036585 0.93 SNRNP200 (0.57) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL16229979 0.89 SNRNP200 (0.57) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL12076 0.87 SNRNP200 (0.55) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL6720997 0.72 MAPT (0.61) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL22523765 0.68 SNRNP200 (0.88) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL3503222 0.60 PTP4A3 (0.74) SNRNP200MEN1KMT2APOLBMAPT
SCHEMBL8292183 0.57 KMT2A (0.58) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL46551 0.56 SLC1A3 (0.73) MEN1KMT2APOLBMAPTTDP1
SCHEMBL8291148 0.55 MAPT (0.55) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL46561 0.55 ITGB2 (1.00) MEN1KMT2APOLBMAPTTDP1

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-2525790-B1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2020-05-27 EP disclosed