SCHEMBL8328957

SCHEMBL8328957

CCc1cc(C(=O)ON2C(=O)CCC2=O)ccc1CSSc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
RGS12 O14924 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 1/20 0.31
ELANE P08246 1/20 0.31
F2 P00734 1/20 0.31
F12 P00748 1/20 0.31

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
SCHEMBL1888896 0.90 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL561821 0.86 RAB9A (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL342420 0.83 POLB (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL1746858 0.81 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5133715 0.80 LMNA (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4070360 0.78 LMNA (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL14157424 0.78 POLB (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4445539 0.78 NPC1 (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7201002 0.77 POLB (0.32) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6052790 0.76 SMN1; SMN2 (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698040-A4 LHRH ANTAGONISTS BIOTECH AUSTRALIA PTY LTD (AU) 1999-01-07 EP disclosed
EP-0698040-A1 LHRH ANTAGONISTS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-02-28 EP disclosed
WO-1994028015-A1 LHRH ANTAGONISTS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO disclosed