SCHEMBL30006467

SCHEMBL30006467

CN(c1cccc(C(=O)O)c1)S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 4/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.45
STAT1 P42224 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3855094 1.00 LMNA (0.51) LMNAMEN1KMT2AMAPTUSP2
SCHEMBL1883657 0.86 KMT2A (0.55) LMNAMEN1KMT2AMAPTUSP2
SCHEMBL8303311 0.83 KMT2A (0.46) LMNAKMT2AALDH1A1HTTMAPK1
SCHEMBL5435147 0.82 POLB (0.55) LMNAMEN1KMT2AMAPTUSP2
SCHEMBL6417389 0.82 LMNA (0.62) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL475723 0.82 LCK (0.45) LMNAMEN1KMT2AMAPTUSP2
SCHEMBL5720785 0.81 ALDH1A1 (0.47) LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL31047143 0.80 BRD4 (0.47) LMNAMEN1KMT2AMAPTUSP2
SCHEMBL222176 0.80 KMT2A (0.58) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29625195 0.80 KMT2A (0.58) LMNAMEN1KMT2AMAPTALDH1A1

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