SCHEMBL7871568

SCHEMBL7871568

CCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOC)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
P4HTM Q9NXG6 3/20 0.40
EGFR P00533 2/20 0.40
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRK1 P41145 1/20 0.35
EPHX2 P34913 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL9574741 0.93 LIMK1 (0.40) LIMK1LIMK2P4HTMEGFRBCL2L1
SCHEMBL7871612 0.92 LIMK1 (0.41) LIMK1LIMK2P4HTMEGFRHDAC1
SCHEMBL7867702 0.91 BCL2L1 (0.37) LIMK1LIMK2P4HTMBCL2L1MCL1
SCHEMBL7869442 0.87 EGFR (0.43) P4HTMEGFRCYP2C9GABRA5
SCHEMBL9018259 0.87 LIMK1 (0.45) LIMK1LIMK2P4HTMEGFRBCL2L1
SCHEMBL8869042 0.86 P4HTM (0.48) LIMK1LIMK2P4HTMEGFRBCL2L1
SCHEMBL7862801 0.86 CA2 (0.48) P4HTMEGFR
SCHEMBL7867912 0.85 EGFR (0.47) P4HTMEGFREPHX2GABRA5
SCHEMBL7871570 0.84 EGFR (0.45) P4HTMEGFROPRK1EPHX2GABRA5
SCHEMBL7869462 0.84 LIMK2 (0.41) LIMK1LIMK2P4HTMEGFRBCL2L1

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