SCHEMBL7828908

SCHEMBL7828908

COC(=O)c1cc(N)c(N2CCCCC2)c(S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC9A1 P19634 1/20 0.44
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
GLA P06280 2/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL11367624 0.86 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL7823111 0.81 SLC9A1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL7827041 0.81 VCAM1 (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL21808121 0.80 SMN1; SMN2 (0.59) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8700566 0.74 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL9436677 0.73 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL11845186 0.73 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL195575 0.71 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31038267 0.71 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL14881297 0.71 ALDH1A1 (0.63) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed