SCHEMBL6668451

SCHEMBL6668451

COc1cccc(NC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1.Cc1cccc(C)c1NC(=O)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 9/20 0.55
NPC1 O15118 5/20 0.55
MAPK1 P28482 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
JAK2 O60674 1/20 0.50
STAT1 P42224 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL4342380 0.93 CA12 (0.64) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL4347168 0.90 KMT2A (0.61) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL6668453 0.80 MEN1 (0.53) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL4354193 0.78 DDX3X (0.65) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL4118579 0.78 KMT2A (0.72) RAB9ASMN1; SMN2KMT2AMEN1TP53
SCHEMBL6673210 0.77 MAPT (0.70) RAB9ASMN1; SMN2KMT2AMEN1TP53
SCHEMBL4341820 0.77 MAPT (0.72) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL6691053 0.77 MEN1 (0.61) RAB9ASMN1; SMN2KMT2AMEN1CA12
SCHEMBL31254103 0.76 KMT2A (0.87) RAB9ASMN1; SMN2KMT2AMEN1TP53
SCHEMBL28342284 0.76 KMT2A (0.87) RAB9ASMN1; SMN2KMT2AMEN1TP53

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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed