SCHEMBL8868612

SCHEMBL8868612

Cc1ccccc1C(=O)OCCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL8870501 0.94 P4HTM (0.43) P4HTMRAB9ANPC1ALDH1A1GAA
SCHEMBL8868704 0.92 P4HTM (0.48) P4HTMRAB9ANPC1ALDH1A1MEN1
SCHEMBL8868009 0.91 P4HTM (0.46) P4HTMRAB9ANPC1ALDH1A1MEN1
SCHEMBL7870468 0.90 ALDH1A1 (0.43) P4HTMRAB9ANPC1ALDH1A1GAA
SCHEMBL8868529 0.89 PPARA (0.49) P4HTMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8868453 0.89 P4HTM (0.47) P4HTMRAB9ANPC1ALDH1A1GAA
SCHEMBL8869090 0.88 ALDH1A1 (0.51) P4HTMRAB9ANPC1ALDH1A1MEN1
SCHEMBL9143419 0.85 P4HTM (0.48) P4HTMRAB9ANPC1ALDH1A1GAA
SCHEMBL9139777 0.85 P4HTM (0.49) P4HTMRAB9AALDH1A1GAAMEN1
SCHEMBL8867585 0.84 NLRP3 (0.57) ALDH1A1MEN1KMT2AHIF1ALMNA

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