SCHEMBL13619261

SCHEMBL13619261

COC(=O)c1ccc(C(C)(N)NC(=O)c2cc(Cl)cc3nc(Nc4ccc(Cl)cc4)oc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
KDR P35968 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL13619313 0.91 KCNH2 (0.39) MEN1KMT2AMAPTTP53KDR
SCHEMBL12948674 0.90 DRD2 (0.41) DHODHMEN1KMT2ADRD2TBXA2R
SCHEMBL12583785 0.80 HDAC3 (0.44) DHODHMEN1KMT2ADRD2TBXA2R
SCHEMBL12583788 0.80 MEN1 (0.39) DHODHMEN1KMT2ADRD2TBXA2R
SCHEMBL12948785 0.77 DRD2 (0.45) MEN1KMT2ADRD2TBXA2RMAPT
SCHEMBL12583782 0.73 KCNH2 (0.55) DHODHMEN1KMT2AMAPTKDR
SCHEMBL12585200 0.71 PTGER4 (0.51) HDAC6HDAC3HDAC1HDAC8
SCHEMBL12585203 0.71 KCNH2 (0.40) MEN1KMT2AMAPTKDRRAF1
SCHEMBL988503 0.70 EGFR (0.46) DRD2TBXA2RMAPTTP53KDR
SCHEMBL12900455 0.70 HDAC3 (0.42) DHODHMEN1KMT2ADRD2TBXA2R

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed