SCHEMBL7217092

SCHEMBL7217092

CNc1nc(-c2ccccc2)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.42
PDE5A O76074 2/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7216241 0.85 KMT2A (0.53) ABCG2LMNAMEN1KMT2AHTT
SCHEMBL1582117 0.78 KMT2A (0.54) LMNAMEN1KMT2AHTTMAPT
SCHEMBL14836661 0.75 LMNA (0.41) LMNAMEN1KMT2AHTTMAPT
SCHEMBL13719712 0.72 MAOA (0.44) ABCG2LMNAMEN1KMT2AHTT
SCHEMBL1582478 0.72 PTGS2 (0.40) ABCG2LMNAMEN1KMT2AHTT
SCHEMBL5418906 0.70 MEN1 (0.49) LMNAMEN1KMT2AHTTCYP1A2
SCHEMBL25680046 0.70 HPRT1 (0.49) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL842415 0.70 KMT2A (0.47) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL7210897 0.68 S100A4 (0.47) ABCG2MEN1KMT2AABCB1ABCC1
SCHEMBL1512032 0.68 KMT2A (0.55) LMNAMEN1KMT2AHTTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146566-C 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof �ձ���ҩ��ʽ���� 2004-04-21 CN disclosed
EP-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
CN-1284076-A 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof DAINIPPON PHARMACEUTICAL CO (JP) 2001-02-14 CN disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed