SCHEMBL7307161

SCHEMBL7307161

CCOC(=O)C=C1COCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PDE7A Q13946 1/20 0.38
LMNA P02545 2/20 0.38
GLO1 Q04760 1/20 0.38
GSK3B P49841 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7307463 0.80 CTDSP1 (0.40) KMT2APKMMEN1NPC1HPGD
SCHEMBL19838576 0.78 CTDSP1 (0.46) HPGDALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL19838579 0.78 CTDSP1 (0.46) HPGDALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL29960412 0.78 CTDSP1 (0.46) HPGDALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7307146 0.74 KMT2A (0.41) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL7307152 0.74 KMT2A (0.41) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL7917078 0.70 CTDSP1 (0.44) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL14508734 0.67 KMT2A (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL11114081 0.67 GSK3B (0.42) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL3213966 0.66 CA12 (0.51) KMT2AMEN1ALDH1A1MAPTRAB9A

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