SCHEMBL11114081

SCHEMBL11114081

CCOC(=O)C=C1C=CC(=O)Nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 2/20 0.39
CHEK1 O14757 1/20 0.39
PDPK1 O15530 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL9204538 0.70 TDP2 (0.46) GSK3BKMT2AMEN1MAPTCACNA1C
SCHEMBL7307161 0.67 KMT2A (0.42) GSK3BKMT2APKMHPGDMEN1
SCHEMBL1398948 0.66 RPS6KA2 (0.51) KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11012599 0.66 MAPK1 (0.45) KMT2APKMHPGDMEN1MAPT
SCHEMBL11012601 0.66 MAPK1 (0.45) KMT2APKMHPGDMEN1MAPT
SCHEMBL28511582 0.66 KMT2A (0.49) KMT2APKMHPGDMEN1NPC1
SCHEMBL5579243 0.65 TTR (0.53) KMT2APKMHPGDMEN1NPC1
SCHEMBL522710 0.64 PIN1 (0.62) KMT2AALDH1A1SMN1; SMN2
SCHEMBL6987302 0.63 KMT2A (0.53) KMT2APKMHPGDMEN1NPC1
SCHEMBL14508734 0.63 KMT2A (0.53) KMT2APKMHPGDMEN1NPC1

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-4477446-A ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1984-10-16 US disclosed