SCHEMBL8405047

SCHEMBL8405047

CNc1nc(=O)[nH]cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
GALR2 O43603 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 2/20 0.37
PTPN1 P18031 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 2/20 0.35
KLF10 Q13118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSF1 Q00613 1/20 0.33
MAT2A P31153 1/20 0.33
PGK1 P00558 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL11834724 0.74 LMNA (0.66) LMNAGALR2POLBSMN1; SMN2PTPN1
SCHEMBL265579 0.73 KDM4E (0.38) LMNAPOLBKDM4ERAB9AMAPT
SCHEMBL1896687 0.72 MAT2A (0.37) SMN1; SMN2KDM4EALDH1A1PKMMAT2A
SCHEMBL18325718 0.72 MAT2A (0.37) LMNASMN1; SMN2MAPTALDH1A1MAT2A
SCHEMBL3797103 0.71 MAT2A (0.36) MAT2A
SCHEMBL8728438 0.70 PKM (0.37) PKMTSHRHSD17B10
SCHEMBL11715435 0.68 GALR2 (0.58) LMNAGALR2POLBSMN1; SMN2RAB9A
SCHEMBL18132314 0.68 KMT2A (0.35) MAT2A
SCHEMBL18610783 0.67 MAT2A (0.33) MAT2ACYP3A4HSD17B10
SCHEMBL5288789 0.67 LMNA (0.51) LMNAGALR2POLBSMN1; SMN2RAB9A

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-0673938-B1 Purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO (JP) 1999-07-07 EP disclosed
US-5658918-A INHIBITING NASAL MUCOUS SECRETION NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0673938-A2 Novel purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1995-09-27 EP disclosed