SCHEMBL5992672

SCHEMBL5992672

COc1cccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 7/20 0.80
KDM4D Q6B0I6 3/20 0.73
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
THRB P10828 2/20 0.62
RECQL P46063 2/20 0.62
BLM P54132 2/20 0.62
MCL1 Q07820 2/20 0.62
ALOX12 P18054 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
USP2 O75604 1/20 0.59
TNNI3 P19429 1/20 0.59
TNNT2 P45379 1/20 0.59

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
SCHEMBL5995022 0.85 KDM4D (1.00) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL20272250 0.83 KDM4D (0.82) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL9613317 0.81 KDM4D (0.82) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL9613328 0.80 PTPN7 (1.00) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL20866496 0.80 PTPN7 (0.77) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL14680156 0.79 ALDH1A1 (0.69) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL9613294 0.76 KDM4D (0.73) PTPN7KDM4DKMT2AMEN1MAPT
SCHEMBL30557433 0.75 MAPT (0.81) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3822948 0.75 MAPT (0.81) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL9613359 0.75 PTPN7 (0.77) PTPN7KDM4DKMT2AMEN1MAPT

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed