SCHEMBL9199489

SCHEMBL9199489

O=c1cc(-c2ccccc2)oc2cc(OCCBr)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.72
ABCG2 Q9UNQ0 3/20 0.69
TNKS O95271 1/20 0.65
CYP19A1 P11511 1/20 0.65
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL13592819 0.89 CYP19A1 (0.68) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL7933564 0.88 SIGMAR1 (0.73) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL10025659 0.87 SIGMAR1 (0.76) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL9391105 0.87 SIGMAR1 (0.72) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL7372368 0.87 SIGMAR1 (0.72) SIGMAR1ABCG2TNKSCYP19A1
SCHEMBL4406405 0.86 SIGMAR1 (0.55) SIGMAR1ABCG2MAPT
SCHEMBL12941167 0.85 SIGMAR1 (0.82) SIGMAR1ABCG2TNKSCYP19A1
SCHEMBL12940261 0.84 CYP19A1 (0.68) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL9140701 0.84 KDM4E (0.74) SIGMAR1ABCG2TNKSCYP19A1MEN1
SCHEMBL4410884 0.83 CYP1A1 (0.54) SIGMAR1ABCG2

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-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed