SCHEMBL7329212

SCHEMBL7329212

O=C1c2ccccc2C(=O)N1c1ccc(CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
NR1H3 Q13133 6/20 0.62
PPARA Q07869 3/20 0.57
PPARD Q03181 2/20 0.57
SCN2A Q99250 3/20 0.53
CA9 Q16790 3/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
NR1H2 P55055 2/20 0.51

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
SCHEMBL9480783 0.84 NR1H3 (0.66) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL4649471 0.83 KMT2A (0.78) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL30758581 0.81 NR1H3 (0.62) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL13412864 0.81 NR1H3 (0.62) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL4594655 0.81 NR1H3 (0.62) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL2688855 0.81 NR1H3 (0.62) KMT2AMEN1NR1H3PPARAPPARD
Bromide SCHEMBL4875685 0.79 NR1H3 (0.60) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL7443516 0.79 NR1H3 (0.59) KMT2AMEN1NR1H3PPARAPPARD
SCHEMBL9053599 0.78 CASP3 (0.65) KMT2AMEN1CA9CA12CA1
SCHEMBL12076522 0.78 NR1H3 (0.73) KMT2AMEN1NR1H3PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
US-4999353-A Chemical process for the preparation of imidazo-quinoxalines and intermediates for use in the process NOVO NORDISK A/S (DK) 1991-03-12 US disclosed
EP-0368652-A1 Imidazoquinoxalines and their preparation NOVO NORDISK A/S (DK) 1990-05-16 EP disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed