SCHEMBL30005734

SCHEMBL30005734

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 2/20 0.46
TRPV4 Q9HBA0 5/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30005630 0.92 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005646 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005546 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005770 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005185 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005659 0.88 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005706 0.87 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005882 0.87 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005950 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30006662 0.83 ALDH1A1 (0.72) 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