SCHEMBL9329368

SCHEMBL9329368

O=C(NCCO[N+](=O)[O-])c1csc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HPGDS O60760 3/20 0.55
TDP1 Q9NUW8 2/20 0.53
ACKR3 P25106 2/20 0.52
TLR7 Q9NYK1 1/20 0.50
MAPT P10636 3/20 0.49
ATM Q13315 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL9328754 0.88 MEN1 (0.60) CYP2C9CYP2C19HPGDHDAC6TLR7
SCHEMBL9329277 0.87 HPGDS (0.46) CYP2C9CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9329929 0.85 CYP2C9 (0.46) CYP2C9CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9329984 0.81 RAB9A (0.55) CYP2C9CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL9329461 0.80 MEN1 (0.48) CYP2C9CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9331727 0.79 MEN1 (0.50) CYP2C9CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9329229 0.79 MEN1 (0.47) CYP2C9CYP2C19HPGDHDAC1HDAC8
SCHEMBL9328726 0.79 HIF1A (0.54) CYP2C9CYP2C19HPGDHDAC1HDAC8
SCHEMBL3436271 0.79 HPGD (0.66) CYP2C9CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL27966332 0.79 HPGD (0.66) CYP2C9CYP2C19HPGDCYP1A2CYP3A4

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-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
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed