SCHEMBL8869693

SCHEMBL8869693

O=C(NC1CCCCC1)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.49
HSD11B1 P28845 3/20 0.48
P4HTM Q9NXG6 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CNR1 P21554 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL8868092 0.91 ALDH1A1 (0.49) HSD17B10ALDH1A1HTTHSD11B1P4HTM
SCHEMBL8868071 0.89 LMNA (0.55) ALDH1A1HTTP4HTMLMNACYP3A4
SCHEMBL8868847 0.89 ALDH1A1 (0.48) HSD17B10ALDH1A1HTTHSD11B1P4HTM
SCHEMBL9139866 0.89 P4HTM (0.61) HSD17B10ALDH1A1HTTHSD11B1P4HTM
SCHEMBL7870547 0.87 HTT (0.48) HSD17B10ALDH1A1HTTHSD11B1GAA
SCHEMBL9139277 0.86 ALDH1A1 (0.51) HSD17B10ALDH1A1HTTHSD11B1P4HTM
SCHEMBL9518038 0.86 ALDH1A1 (0.53) HSD17B10ALDH1A1HTTHSD11B1SMN1; SMN2
SCHEMBL8869795 0.84 P4HTM (0.51) HSD17B10HTTP4HTMCYP2C19SMN1; SMN2
SCHEMBL9140397 0.83 ALDH1A1 (0.51) HSD17B10ALDH1A1HTTHSD11B1P4HTM
SCHEMBL8868877 0.82 SMN1; SMN2 (0.50) HSD17B10P4HTMCYP2C19SMN1; SMN2KMT2A

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed