SCHEMBL9329949

SCHEMBL9329949

CC(=O)Nc1nc(C(=O)NCCO[N+](=O)[O-])cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
DHFR P00374 3/20 0.43
EGFR P00533 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
ACHE P22303 2/20 0.40
GAA P10253 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 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
SCHEMBL9329414 0.89 CYP2C19 (0.43) L3MBTL1KMT2AMEN1HSD17B10RAB9A
SCHEMBL9331832 0.88 CYP2C19 (0.42) L3MBTL1KMT2AMEN1HSD17B10RAB9A
SCHEMBL9329282 0.88 CYP2C19 (0.45) KMT2AMEN1HSD17B10RAB9ACYP2C19
SCHEMBL9328704 0.87 CYP2C19 (0.55) KMT2AMEN1HSD17B10RAB9ACYP2C19
SCHEMBL9329984 0.84 RAB9A (0.55) KMT2AMEN1HSD17B10RAB9ACYP2C19
SCHEMBL9329454 0.84 PDE5A (0.49) KMT2AMEN1HSD17B10CYP2C19CYP2C9
SCHEMBL9328726 0.83 HIF1A (0.54) KMT2AMEN1HSD17B10RAB9ACYP2C19
Hydrochloric Acid SCHEMBL9329264 0.81 HIF1A (0.53) KMT2AMEN1HSD17B10RAB9ACYP2C19
SCHEMBL9329461 0.81 MEN1 (0.48) KMT2AMEN1HSD17B10RAB9ACYP2C19
Hydrochloric Acid SCHEMBL9329370 0.81 KMT2A (0.48) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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