SCHEMBL3223530

SCHEMBL3223530

COC(=O)c1nccnc1NC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.46
ABL1 P00519 3/20 0.46
CYP1A2 P05177 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EGFR P00533 1/20 0.44
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.43
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SGK1 O00141 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
SCHEMBL3218359 0.89 HDAC1 (0.48) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL3199806 0.81 PTPN1 (0.67) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL14344520 0.80 HTT (0.54) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL775158 0.79 ABL1 (0.61) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL774860 0.78 RAB9A (0.64) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL3618498 0.77 KMT2A (0.53) KMT2AMEN1KDM4ESMN1; SMN2RAB9A
SCHEMBL3224360 0.77 RAB9A (0.71) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3208598 0.76 POLB (0.70) KMT2ALMNAMEN1KDM4ESMN1; SMN2
SCHEMBL777653 0.75 MEN1 (0.64) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL774680 0.75 DEGS1 (0.48) KMT2ALMNAMAPTMEN1KDM4E

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed