SCHEMBL30005957

SCHEMBL30005957

Cc1nc(-c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cc(Cl)cc(Cl)c4)CC3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
STAT1 P42224 2/20 0.46
RAB9A P51151 2/20 0.46
PSMD14 O00487 1/20 0.45
THRB P10828 1/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30005377 0.82 GAA (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005703 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005455 0.76 TDP1 (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005465 0.76 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1ATM
SCHEMBL30005953 0.74 TDP1 (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005561 0.74 TDP1 (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005757 0.74 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30005802 0.73 NPC1 (0.55) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL30006561 0.72 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1ATM
SCHEMBL30005833 0.72 MAPT (0.55) MAPTMEN1KMT2AALDH1A1ATM

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