SCHEMBL9329327

SCHEMBL9329327

O=C(NCCOCCO)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ATG4B Q9Y4P1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAP3K5 Q99683 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
DPP4 P27487 1/20 0.35
PIM1 P11309 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRM4 Q14833 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3337029 0.84 KDM4E (0.50) HDAC3HDAC1KDM4ESMN1; SMN2MAP3K5
SCHEMBL9792615 0.83 MEN1 (0.43) HDAC3HDAC1KDM4EATG4BSMN1; SMN2
Hydrochloric Acid SCHEMBL9330013 0.82 MEN1 (0.42) HDAC3HDAC1KDM4EATG4BSMN1; SMN2
SCHEMBL3338965 0.81 HDAC3 (0.53) HDAC3HDAC1KDM4ESMN1; SMN2MAP3K5
SCHEMBL7107993 0.79 SMN1; SMN2 (0.46) KDM4EATG4BSMN1; SMN2ALDH1A1HPGD
SCHEMBL9329296 0.78 MEN1 (0.49) HDAC3HDAC1KDM4EATG4BSMN1; SMN2
SCHEMBL24915784 0.78 HDAC3 (0.53) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL10708899 0.78 KDM4E (0.52) HDAC3HDAC1KDM4ESMN1; SMN2MAP3K5
SCHEMBL29509654 0.78 MAP3K5 (0.50) HDAC3HDAC1KDM4ESMN1; SMN2MAP3K5
SCHEMBL19595561 0.77 HDAC3 (0.35) HDAC3HDAC1KDM4ESMN1; SMN2MAP3K5

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