SCHEMBL27367160

SCHEMBL27367160

COC(=O)c1ccc2cc(S(=O)(=O)N(C)C)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.52
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PLAU P00749 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
PTPN11 Q06124 1/20 0.49
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
LCK P06239 1/20 0.47
PLAT P00750 1/20 0.46

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
SCHEMBL65856 0.84 SMN1; SMN2 (0.64) CYP2C9RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15772472 0.81 KMT2A (0.64) RAB9AMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL22662913 0.81 PTPN11 (0.51) CYP2C9PLAUALDH1A1POLBTSHR
SCHEMBL69025 0.80 PTPN11 (0.68) MAPTSMN1; SMN2PLAUALDH1A1TSHR
SCHEMBL29365729 0.80 PTPN11 (0.68) MAPTSMN1; SMN2PLAUALDH1A1TSHR
SCHEMBL27977252 0.79 HPGD (0.73) RAB9APLAUALDH1A1POLBPTPN11
SCHEMBL31107524 0.79 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL8732524 0.78 PTPN11 (0.66) MAPTSMN1; SMN2PLAUALDH1A1TSHR
SCHEMBL4876319 0.78 POLB (0.60) CYP2C9PLAUALDH1A1POLBTSHR
SCHEMBL7286109 0.78 EPAS1 (0.48) CYP2C9PLAUALDH1A1POLBTSHR

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
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed