SCHEMBL9423634

SCHEMBL9423634

COc1ccccc1Oc1c(O)nc(-c2ccccn2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 3/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 9/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
PPP1CA P62136 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL1937757 0.87 EDNRA (0.49)
SCHEMBL7694584 0.85 EDNRB (0.44) FFAR1LMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL20665875 0.85 KDM4E (0.57) FFAR1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL9423908 0.83 LMNA (0.55) FFAR1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL28568819 0.79 DHPS (0.59) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL21741033 0.78 METAP1 (0.50) LMNASMN1; SMN2KDM4ENPC1TP53
SCHEMBL4061462 0.78 DHPS (0.49) SMN1; SMN2NPC1TP53RAB9AGAA
SCHEMBL7483960 0.78 HTT (0.48) LMNASMN1; SMN2KDM4ETP53HSD17B10
SCHEMBL1257596 0.78 DHPS (0.52)
SCHEMBL10270342 0.78 L3MBTL1 (0.65) LMNASMN1; SMN2KDM4EGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013057545-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2013-04-25 WO disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed