SCHEMBL12076

SCHEMBL12076

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNRNP200 O75643 2/20 0.55
POLB P06746 10/20 0.48
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
RECQL P46063 3/20 0.48
BLM P54132 3/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 2/20 0.48
MCL1 Q07820 2/20 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 0.43
GAA P10253 2/20 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
SCHEMBL16229979 0.90 SNRNP200 (0.57) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL22036585 0.88 SNRNP200 (0.57) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL22036232 0.87 SNRNP200 (0.56) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL22523765 0.67 SNRNP200 (0.88) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL14680225 0.64 KMT2A (0.54) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL3503224 0.59 PTP4A3 (0.74) SNRNP200POLBMEN1KMT2AMAPT
SCHEMBL8292183 0.56 KMT2A (0.58) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL8291148 0.54 MAPT (0.55) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL5144962 0.54 MAPT (0.65) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL3136575 0.53 INSR (0.59) POLBMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883438-B2 Method for diagnosing cell proliferation disorders having a neoactive mutation at residue 97 of isocitrate dehydrogenase 1 AGIOS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
WO-2011050211-A2 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed