SCHEMBL9329465

SCHEMBL9329465

CC(=O)N(C)c1nc(C(=O)NCCO[N+](=O)[O-])cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HDAC3 O15379 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9329437 0.90 MEN1 (0.44) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9328726 0.81 HIF1A (0.54) CYP2C9CYP2C19MEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL9329264 0.80 HIF1A (0.53) CYP2C9CYP2C19MEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL9329430 0.80 CYP2C9 (0.42) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9329461 0.79 MEN1 (0.48) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9329949 0.79 L3MBTL1 (0.50) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9329282 0.79 CYP2C19 (0.45) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9329229 0.78 MEN1 (0.47) CYP2C9CYP2C19MEN1ALOX15KMT2A
SCHEMBL9331727 0.78 MEN1 (0.50) CYP2C9CYP2C19MEN1ALOX15KMT2A
Dimethylamine SCHEMBL9329441 0.78 HIF1A (0.51) CYP2C9CYP2C19MEN1ALOX15KMT2A

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