SCHEMBL9574745

SCHEMBL9574745

O=C(NCCCO)Oc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ AR P10275 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL9574732 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PKMCACNA1HCACNA1BLMNA
SCHEMBL8868341 0.85 CYP1A2 (0.45) SMN1; SMN2ARPKMCACNA1HCACNA1B
SCHEMBL7870344 0.85 EPHX2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9574714 0.83 AR (0.40) ARPKMCACNA1HCACNA1BLMNA
SCHEMBL9574909 0.81 HTT (0.44) ARLMNAALDH1A1MEN1KMT2A
SCHEMBL9574660 0.79 SMN1; SMN2 (0.42) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL8869973 0.79 CYP1A2 (0.46) SMN1; SMN2ARLMNACYP1A2CYP3A4
SCHEMBL7869468 0.79 EPHX2 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9574758 0.79 NR3C1 (0.49) SMN1; SMN2ARLMNAALDH1A1MEN1
SCHEMBL9574743 0.78 SMN1; SMN2 (0.40) SMN1; SMN2PKMLMNACYP1A2CYP3A4

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
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