SCHEMBL30006674

SCHEMBL30006674

CCCC(CC)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 3/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30005087 0.88 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005938 0.87 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005592 0.85 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005796 0.85 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006634 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005473 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006519 0.82 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005968 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005444 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005360 0.80 ALDH1A1 (0.82) 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