SCHEMBL4370123

SCHEMBL4370123

O=C(O)c1csc2c1CCC1(CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 3/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30988091 0.78 PTPN1 (0.49) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL29503118 0.75 HPGD (0.63) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL1121822 0.73 HPGD (0.60) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL22775116 0.73 HPGD (0.56) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL19141211 0.73 RAB7A (0.39) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL1857150 0.71 TP53 (0.38) HPGDSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL31564016 0.69 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL31564047 0.66 MAPT (0.35) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL524621 0.66 CYP1A2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3804422 0.66 CYP1A2 (0.44) HPGDALDH1A1SMN1; SMN2MAPTNPC1

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-2009124086-A2 ANTIBACTERIAL DRUG FOR TREATMENT OF STAPHYLOCOCCUS AUREUS AND OTHER GRAM-POSITIVE BACTERIAL INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2009-10-08 WO claimed