SCHEMBL7307152

SCHEMBL7307152

CCOC(=O)C=C1COc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
GLO1 Q04760 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL7307146 1.00 KMT2A (0.41) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL7307449 0.81 MTNR1A (0.43) KMT2AMEN1NPC1HSP90AA1HPGD
SCHEMBL7307455 0.81 MTNR1A (0.43) KMT2AMEN1NPC1HSP90AA1HPGD
SCHEMBL7307161 0.74 KMT2A (0.42) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL14061699 0.72 MAPT (0.42) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL14137056 0.72 MAPT (0.42) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL3346103 0.70 TDP2 (0.44) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL5473940 0.69 ESR2 (0.48) KMT2AMEN1HSP90AA1HPGDMAPT
SCHEMBL3302628 0.68 ESR2 (0.71) KMT2APKMMAPTALDH1A1SMN1; SMN2
SCHEMBL13027436 0.68 MAPT (0.64) KMT2APKMMEN1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed