SCHEMBL7870549

SCHEMBL7870549

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HTR1A P08908 1/20 0.47
NFKB1 P19838 1/20 0.47
CNR1 P21554 1/20 0.47
ADRA1A P35348 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
EGFR P00533 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 2/20 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
SCHEMBL7871341 0.92 MAPT (0.46) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7867890 0.91 POLB (0.40) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7870460 0.90 MAPT (0.44) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7870524 0.89 SMN1; SMN2 (0.46) MAPTTSHRLMNASMN1; SMN2MEN1
SCHEMBL7870571 0.88 EPHX2 (0.45) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7868035 0.88 MAPT (0.43) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL9018314 0.88 MAPT (0.49) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8869573 0.88 MAPT (0.56) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7871597 0.88 LMNA (0.44) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL9018409 0.86 MAPT (0.49) MAPTTSHRLMNACYP3A4CYP2C9

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