SCHEMBL30005508

SCHEMBL30005508

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cc(F)cc(F)c3)CC2)cc1)c1ccncc1I

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.47
NAMPT P43490 1/20 0.47
GAA P10253 1/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL30006561 0.89 MEN1 (0.52) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL30005833 0.83 MAPT (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL30005698 0.76 MEN1 (0.48) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL30006662 0.76 ALDH1A1 (0.72) KMT2AMEN1LMNASMN1; SMN2ALOX15
SCHEMBL30004774 0.75 ALDH1A1 (0.58) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL30006454 0.71 ALDH1A1 (0.67) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL30005757 0.69 MEN1 (0.51) KMT2AMEN1LMNASMN1; SMN2ALOX15
SCHEMBL30006458 0.69 ALDH1A1 (0.73) KMT2AMEN1SMN1; SMN2ALOX15HTT
SCHEMBL30005455 0.69 TDP1 (0.52) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL30004926 0.69 ALDH1A1 (0.69) KMT2AMEN1SMN1; SMN2HTTALDH1A1

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed