SCHEMBL30005444

SCHEMBL30005444

CCCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KMT2A Q03164 4/20 0.72
MEN1 O00255 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.56
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48

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
SCHEMBL30005968 0.89 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005592 0.86 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005938 0.83 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005473 0.83 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL31518537 0.82 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005912 0.82 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005360 0.82 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005796 0.81 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005087 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006835 0.81 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2

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