SCHEMBL9237162

SCHEMBL9237162

CC(C)(C)n1ncc(SCc2ccc(OCc3ccccc3)cc2)c(Cl)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GALR3 O60755 1/20 0.66
NR2F2 P24468 1/20 0.66
GPR183 P32249 1/20 0.66
GPR35 Q9HC97 1/20 0.66
MAPT P10636 3/20 0.57
PKM P14618 3/20 0.57
GAA P10253 2/20 0.57
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
PPARG P37231 5/20 0.44
ALDH1A1 P00352 3/20 0.44
NCOA2 Q15596 3/20 0.44
NCOA1 Q15788 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL9234574 0.89 RAB9A (0.77) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9775230 0.87 MEN1 (0.71) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9240320 0.86 SMN1; SMN2 (0.51) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9830508 0.85 MEN1 (0.69) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9775144 0.85 RAB9A (0.69) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9238805 0.85 MEN1 (0.74) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9828077 0.84 NPC1 (0.67) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9775209 0.83 MEN1 (0.66) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9775159 0.83 NPC1 (0.66) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL9775171 0.82 NPC1 (0.65) NPC1RAB9AMEN1KMT2AGALR3

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
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed