SCHEMBL9942872

SCHEMBL9942872

O=C(O)c1ccc(Br)cc1NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.55
KDM4E B2RXH2 3/20 0.50
GLA P06280 1/20 0.50
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
APEX1 P27695 1/20 0.47
GRIK1 P39086 4/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
DHODH Q02127 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CDK2 P24941 1/20 0.44
GRIK2 Q13002 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
STING1 Q86WV6 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
TRPA1 O75762 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL28361711 0.84 APEX1 (0.60) KDM4EGLAKCNK2KCNK10APEX1
SCHEMBL16632333 0.82 ACLY (0.54) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL4152400 0.82 ACLY (0.54) ACLYKDM4EGLAKCNK2KCNK10
Hydrochloric Acid SCHEMBL145407 0.81 ACLY (0.53) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL22858729 0.79 ACLY (0.51) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL10171027 0.79 AKR1C3 (0.70) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL7847232 0.79 ACLY (0.59) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL3915465 0.79 ALDH1A1 (0.61) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL9942862 0.79 ABCG2 (0.52) KDM4EGLAPOLBALDH1A1MAPT
SCHEMBL9709047 0.78 AKR1C3 (0.60) ACLYGRIK1AKR1C3AKR1C2DHODH

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
EP-2468732-B1 1H-Quinazoline-2,4-diones NOVARTIS AG (CH) 2014-08-20 EP disclosed
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed