SCHEMBL30005698

SCHEMBL30005698

CCS(=O)(=O)c1cnccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NAMPT P43490 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
AGTR1 P30556 1/20 0.45
PAX8 Q06710 1/20 0.45
TLR9 Q9NR96 1/20 0.45
LMNA P02545 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
SCHEMBL30006561 0.86 MEN1 (0.52) MEN1KMT2AATMSMN1; SMN2NAMPT
SCHEMBL30005833 0.85 MAPT (0.55) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL30004774 0.83 ALDH1A1 (0.58) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL30005757 0.76 MEN1 (0.51) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL30005508 0.76 KMT2A (0.49) MEN1KMT2ASMN1; SMN2NAMPTMAPT
SCHEMBL30005455 0.75 TDP1 (0.52) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL175270 0.74 NAMPT (0.81) NAMPTCYP2C9
SCHEMBL30005703 0.74 MAPT (0.47) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30005465 0.73 ALDH1A1 (0.73) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL30005561 0.73 TDP1 (0.49) MEN1KMT2AATMMAPTALDH1A1

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