SCHEMBL9328693

SCHEMBL9328693

Cc1nc(C)c(C(=O)NCCO)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL3001665 0.83 ALDH1A1 (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2GAA
SCHEMBL13754002 0.82 NPC1 (0.59) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL3001664 0.81 ALDH1A1 (0.44) RAB9ANPC1L3MBTL1CNR1SMN1; SMN2
SCHEMBL18061243 0.81 GAA (0.47) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL19113898 0.81 RAB9A (0.51) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL12259023 0.79 HTT (0.44) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL405248 0.78 ALDH1A1 (0.70) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL9529702 0.78 CTSV (0.51) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL28449044 0.76 HPGD (0.76) RAB9ANPC1L3MBTL1CNR1SMN1; SMN2
SCHEMBL14260717 0.76 ALDH1A1 (0.57) RAB9ARECQLNPC1L3MBTL1CNR1

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 6 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
CN-1021046-C PREPARING METHOD FOR NITRIC ESTER DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1993-06-02 CN 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
CN-1031226-A Nitrate derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1989-02-22 CN disclosed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed