SCHEMBL9329296

SCHEMBL9329296

O=C(NCCO[N+](=O)[O-])c1cscn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAP3K5 Q99683 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
DPP4 P27487 1/20 0.34
PIM1 P11309 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9792615 0.92 MEN1 (0.43) MEN1KMT2ACYP2C9ALOX15CYP2C19
Hydrochloric Acid SCHEMBL9330013 0.91 MEN1 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8525185 0.79 KMT2A (0.41) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9329327 0.78 HDAC3 (0.44) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL9069849 0.78 KMT2A (0.59) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL3337029 0.77 KDM4E (0.50) KMT2AHSD17B10HDAC3HDAC1KDM4E
SCHEMBL9329461 0.77 MEN1 (0.48) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9328726 0.76 HIF1A (0.54) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9331727 0.76 MEN1 (0.50) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9329229 0.76 MEN1 (0.47) MEN1KMT2ACYP2C9ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300400-B1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-16 EP claimed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US claimed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP claimed
JP-2028167-A None JP disclosed
EP-0300400-B1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-16 EP disclosed
US-5010093-A Vasodilators; cardiovascular disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-23 US disclosed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US disclosed
JP-H0228167-A NITRIC ACID ESTER DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1990-01-30 JP disclosed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed