SCHEMBL9574775

SCHEMBL9574775

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc3ccccc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 4/20 0.59
▸ TSHR P16473 1/20 0.39
▸ GABRA5 P31644 3/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ PIN1 Q13526 2/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN1A P35498 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
SCHEMBL9574712 0.90 P4HTM (0.57) P4HTMTSHRGABRA5SLC16A3PIN1
SCHEMBL7869169 0.85 GABRA5 (0.44) P4HTMGABRA5
SCHEMBL9574792 0.84 P4HTM (0.54) P4HTMTSHRSLC16A3PIN1EPHX2
SCHEMBL7869455 0.83 P4HTM (0.57) P4HTMGABRA5MCL1EGFR
SCHEMBL9018333 0.83 P4HTM (0.64) P4HTMTSHRSLC16A3PIN1EPHX2
SCHEMBL9574778 0.82 P4HTM (0.43) P4HTMMCL1CYP3A4CYP2C19EGFR
SCHEMBL9018353 0.81 P4HTM (0.60) P4HTMTSHRGABRA5SLC16A3PIN1
SCHEMBL9018246 0.79 P4HTM (0.57) P4HTMTSHRSLC16A3PIN1EPHX2
SCHEMBL7871628 0.78 HTT (0.53) P4HTMEPHX2ALDH1A1HSD17B10
SCHEMBL9517968 0.78 P4HTM (0.69) P4HTMTSHRSLC16A3MCL1HCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback