SCHEMBL30005796

SCHEMBL30005796

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C3CCC3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.84
KMT2A Q03164 4/20 0.82
MEN1 O00255 3/20 0.82
NPSR1 Q6W5P4 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL30005938 0.96 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006519 0.91 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005769 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005087 0.87 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005204 0.87 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005592 0.86 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005901 0.86 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005360 0.86 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006634 0.86 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL31518537 0.84 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