SCHEMBL30005449

SCHEMBL30005449

CCOCOc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 4/20 0.47
PTGDR Q13258 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL30005627 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30004863 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005814 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005706 0.80 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL30005630 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005912 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005456 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30006662 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005339 0.77 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005032 0.77 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPSR1POLB

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