SCHEMBL7862836

SCHEMBL7862836

CCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 2/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7869429 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDEGFRPOLB
SCHEMBL7867679 0.91 ALDH1A1 (0.40) ALDH1A1MAPTHPGDCA1CA2
SCHEMBL7867696 0.91 LMNA (0.42) ALDH1A1MAPTEGFRPOLBMEN1
SCHEMBL7862714 0.90 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDEGFRPOLB
SCHEMBL7862663 0.89 POLB (0.45) ALDH1A1MAPTHSD17B10EGFRPOLB
SCHEMBL7869400 0.88 CA12 (0.42) ALDH1A1MAPTEGFRMEN1KMT2A
SCHEMBL9018243 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDEGFRPOLB
SCHEMBL9574715 0.88 CA2 (0.49) MAPTEGFRMEN1KMT2ACA1
SCHEMBL8868111 0.87 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10HPGDEGFR
SCHEMBL7874632 0.87 ALDH1A1 (0.56) ALDH1A1MAPTPOLBMEN1KMT2A

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
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed