SCHEMBL7874562

SCHEMBL7874562

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
ATM Q13315 1/20 0.41
P4HTM Q9NXG6 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ADORA2A P29274 1/20 0.39
HPGD P15428 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 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
SCHEMBL7869400 0.93 CA12 (0.42) EGFRP4HTMALDH1A1CYP2C19CA12
SCHEMBL7869445 0.92 PKM (0.43) EGFRATMP4HTMALDH1A1CYP1A2
SCHEMBL7874570 0.90 EGFR (0.44) EGFRP4HTMALDH1A1HTTCA12
SCHEMBL7862667 0.90 PTPN1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL7870480 0.87 SCN3A (0.46) P4HTMCA12CA1CA2CA9
SCHEMBL7869457 0.87 P4HTM (0.47) P4HTMMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7867803 0.87 L3MBTL1 (0.52) P4HTMALDH1A1MEN1KMT2ACXCR1
SCHEMBL7871607 0.87 ALDH1A1 (0.52) P4HTMALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7871681 0.86 EGFR (0.46) EGFRP4HTMCA12CA1CA2
SCHEMBL8868261 0.85 P4HTM (0.49) EGFRATMP4HTMALDH1A1CYP1A2

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