SCHEMBL8868261

SCHEMBL8868261

CCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.49
EGFR P00533 2/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 1/20 0.42
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
SCHEMBL8868551 0.92 P4HTM (0.47) P4HTMEGFRALDH1A1CYP2C19CA12
SCHEMBL8868506 0.91 P4HTM (0.51) P4HTMEGFRATMALDH1A1HTT
SCHEMBL8868894 0.89 P4HTM (0.51) P4HTMEGFRALDH1A1HTTCA12
SCHEMBL8869114 0.89 PTPN1 (0.51) P4HTMALDH1A1CA12CA1CA2
SCHEMBL9140990 0.87 P4HTM (0.66) P4HTMEGFRATM
SCHEMBL8868396 0.86 HDAC3 (0.54) P4HTMEGFRALDH1A1CA12CA1
SCHEMBL7874562 0.85 EGFR (0.43) P4HTMEGFRATMALDH1A1HTT
SCHEMBL9137568 0.85 P4HTM (0.55) P4HTMEGFRATMALDH1A1HTT
SCHEMBL8869078 0.85 P4HTM (0.53) P4HTMEGFRCA12CA1CA2
SCHEMBL8869119 0.84 L3MBTL1 (0.56) P4HTMALDH1A1GAAPKMMEN1

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