SCHEMBL27809494

SCHEMBL27809494

O=C(c1ccc(-c2csc(N3CCN(C(=O)O)c4ccccc43)n2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
RAB9A P51151 7/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
AR P10275 2/20 0.47
NPC1 O15118 6/20 0.47
HTT P42858 1/20 0.46
EIF4E P06730 1/20 0.45
ATR Q13535 1/20 0.44
PKM P14618 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL973461 0.83 ALDH1A1 (0.53) HPGDRAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16208120 0.76 HPGD (0.45) HPGDRAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1473981 0.70 AR (0.71) HPGDRAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8150805 0.69 HPGD (0.76) HPGDRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL18029576 0.69 NPC1 (0.59) HPGDRAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL29427783 0.69 NPC1 (0.59) HPGDRAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL3664800 0.68 HSD11B1 (0.56) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2553916 0.68 SMN1; SMN2 (0.74) HPGDRAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6102102 0.68 HPGD (0.57) HPGDATRMKNK1MKNK2TSHR
SCHEMBL5767357 0.67 HPGD (0.57) HPGDRAB9AALDH1A1HSD17B10LMNA

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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN disclosed