SCHEMBL30458040

SCHEMBL30458040

O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.68
MAPT P10636 5/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL121206 0.94 RORC (0.70) RORCMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL27927815 0.82 RORC (0.81) RORCMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL119616 0.82 L3MBTL1 (0.72) RORCALDH1A1HTTMEN1KMT2A
SCHEMBL119929 0.81 RORC (0.79) RORCMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL24279586 0.80 MEN1 (0.60) RORCALDH1A1HTTMEN1KMT2A
SCHEMBL10053472 0.79 MAPT (0.60) RORCMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL16557466 0.78 KMT2A (0.67) RORCMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL16557471 0.77 SMN1; SMN2 (0.66) RORCMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL29682641 0.76 RORC (0.71) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31650963 0.76 ALDH1A1 (0.58) MAPTPOLBALDH1A1SMN1; SMN2HTT

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
WO-2023113461-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER 한국기초과학지원연구원 2023-06-22 WO claimed
WO-2023113461-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER 한국기초과학지원연구원 2023-06-22 WO disclosed