SCHEMBL7724248

SCHEMBL7724248

Nc1c(SCCC(=O)NCCSc2ccccc2C(c2ccccc2)c2ccccc2)cccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 5/20 0.41
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
FGB P02675 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL10814917 0.68 MTNR1A (0.51) SMN1; SMN2HPGDRAB9AL3MBTL1POLB
SCHEMBL9808033 0.63 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL10421848 0.63 RAB9A (0.72) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL10814912 0.61 MTNR1A (0.51) SMN1; SMN2HPGDRAB9AL3MBTL1POLB
SCHEMBL1705771 0.61 ALDH1A1 (0.47) SMN1; SMN2HPGDALDH1A1KMT2AL3MBTL1
SCHEMBL8473388 0.61 CYSLTR2 (0.57) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL9798406 0.60 GAA (0.54) SMN1; SMN2HPGDALDH1A1KMT2ARAB9A
SCHEMBL15678770 0.59 RAB9A (0.65) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL9701297 0.59 MEN1 (0.54) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL9808122 0.59 HPGD (0.57) HPGDALDH1A1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002053624-A1 CROSSLINKED DISULPHIDE CONTAINING POLYMERS FOR DRUG DELIVERY KINGS COLLEGE LONDON (GB) 2002-07-11 WO disclosed