SCHEMBL25786754

SCHEMBL25786754

Cc1c(Cl)cc(Cl)cc1NC(=S)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 9/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PHGDH O43175 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PPIA P62937 1/20 0.46

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
SCHEMBL25293231 0.86 NPC1 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL25243075 0.80 MAPT (0.55) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6815299 0.76 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5452586 0.74 MAPT (0.65) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15347550 0.72 MAPT (0.62) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11373029 0.72 NPC1 (0.70) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6815123 0.71 GAA (0.60) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL641132 0.70 PHGDH (0.67) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL30462446 0.70 MAPK1 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1314971 0.69 MAPT (0.57) NPC1RAB9AALDH1A1MEN1KMT2A

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-2023121022-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF 이화여자대학교 산학협력단 2023-06-29 WO disclosed