SCHEMBL30004987

SCHEMBL30004987

Nc1ccc(S(=O)(=O)N2CCC(C3CCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 1/20 0.56
USP2 O75604 1/20 0.53
PKM P14618 3/20 0.53
USP5 P45974 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
AKR1C3 P42330 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
SCHEMBL16912992 0.84 MEN1 (0.61) MEN1KMT2ATDP1USP2PKM
SCHEMBL14095893 0.84 MEN1 (0.61) MEN1KMT2ATDP1USP2PKM
SCHEMBL78283 0.83 USP2 (0.69) MEN1KMT2ATDP1USP2PKM
SCHEMBL655768 0.83 USP2 (0.76) MEN1KMT2ATDP1USP2PKM
SCHEMBL11306227 0.83 PKM (0.69) MEN1KMT2AUSP2PKMHTT
SCHEMBL1019079 0.83 MEN1 (0.60) MEN1KMT2ATDP1USP2PKM
SCHEMBL16913002 0.83 MEN1 (0.60) MEN1KMT2ATDP1USP2PKM
SCHEMBL4212319 0.83 MEN1 (0.75) MEN1KMT2ATDP1MCOLN3LMNA
SCHEMBL165129 0.82 USP2 (0.80) MEN1KMT2AUSP2PKMLMNA
SCHEMBL3690418 0.82 USP2 (0.80) MEN1KMT2AUSP2PKMLMNA

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