SCHEMBL7259709

SCHEMBL7259709

Nc1ccc(-c2ccc(C(=O)N3CCSCC3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN10A Q9Y5Y9 3/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4B Q07343 6/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
PDE4D Q08499 4/20 0.45
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7255114 0.86 NPC1 (0.67) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL2030346 0.84 NPC1 (0.55) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL7259662 0.82 MAPT (0.77) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL7255163 0.78 RAB9A (0.55) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1772275 0.75 ERN1 (0.60) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL4050262 0.74 RAB9A (0.52) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL3152770 0.74 HPGD (0.69) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL31098651 0.74 GAA (0.67) ALDH1A1SMN1; SMN2HPGDTDP1PDE4B
SCHEMBL3451824 0.72 RAB9A (0.50) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL3418331 0.72 ALDH1A1 (0.70) ALDH1A1LMNAHPGDKDM4EMEN1

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed