SCHEMBL7870571

SCHEMBL7870571

O=C(CC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
BLM P54132 2/20 0.44
HTR1A P08908 1/20 0.44
NFKB1 P19838 1/20 0.44
CNR1 P21554 1/20 0.44
ADRA1A P35348 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 2/20 0.38
NAMPT P43490 1/20 0.37
PPARG P37231 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37

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
SCHEMBL7867832 0.92 EPHX2 (0.43) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL7867707 0.91 EPHX2 (0.46) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL7868027 0.90 LMNA (0.42) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL7867694 0.89 EPHX2 (0.43) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL7870483 0.89 LMNA (0.41) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL9018046 0.88 EPHX2 (0.46) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL7870549 0.88 MAPT (0.47) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018170 0.86 LMNA (0.46) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL9018101 0.85 EPHX2 (0.43) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL9018486 0.84 LMNA (0.42) EPHX2LMNACYP3A4MAPTCYP2C9

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