SCHEMBL627708

SCHEMBL627708

O=C(Nc1nc2ccc(F)cc2s1)C(SC1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
HSD17B10 Q99714 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 3/20 0.58
USP2 O75604 3/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 3/20 0.57
RXFP1 Q9HBX9 3/20 0.56
LMNA P02545 6/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 3/20 0.52
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
KDM4E B2RXH2 4/20 0.51
HTT P42858 5/20 0.50
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
ESR1 P03372 1/20 0.49
CRHBP P24387 1/20 0.47

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
SCHEMBL628093 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL624677 0.80 GCK (0.44) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL627134 0.71 ACP1 (0.50) ALDH1A1SMN1; SMN2HPGDNPC1TP53
SCHEMBL8260317 0.69 KMT2A (0.63) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL5875524 0.69 KMT2A (0.63) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL3562541 0.68 GCK (0.71) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL2655003 0.68 GCK (0.71) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL16689133 0.68 ALDH1A1 (1.00) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL2655726 0.68 GCK (0.70) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2
SCHEMBL3563432 0.68 GCK (0.70) ALDH1A1HSD17B10SMN1; SMN2HPGDUSP2

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-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed