SCHEMBL14003296

SCHEMBL14003296

CCOC(=O)/C=C/c1cc(NC(=O)c2nc([N+](=O)[O-])cn2C)cn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.39
MITF O75030 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 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
SCHEMBL14003295 0.95 P2RY12 (0.40) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL14027353 0.95 P2RY12 (0.40) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL14003293 0.85 P2RY12 (0.40) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL5333313 0.77 P2RY12 (0.37) KMT2APKMNPC1MEN1NPSR1
SCHEMBL14181033 0.75 P2RY12 (0.44) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL14003294 0.75 P2RY12 (0.40) KMT2AMEN1NPSR1MAPTMITF
SCHEMBL14181021 0.75 P2RY12 (0.44) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL14003292 0.75 PKM (0.46) KMT2APKMNPC1MEN1HSP90AA1
SCHEMBL12934361 0.74 AR (0.36) KMT2APKMNPC1MEN1HPGD
SCHEMBL12307516 0.74 AR (0.36) KMT2APKMNPC1MEN1HPGD

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-7456294-B2 Hairpin polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-25 US disclosed
US-7456294-B2 Hairpin polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-25 US disclosed