SCHEMBL30006562

SCHEMBL30006562

CN(c1ccc(N2CC(N)C2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C3CCC3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL30006759 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30005769 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30005671 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005901 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30005796 0.83 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30005872 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPSR1RAB9A
Hydrochloric Acid SCHEMBL30005683 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30006449 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30006076 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL30005938 0.79 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ANPSR1RAB9A

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