SCHEMBL9239759

SCHEMBL9239759

CC(C)n1ncc(OCc2ccc(C(C)(C)C)cc2)c(Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ GPR183 P32249 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ BPTF Q12830 1/20 0.44
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ APP P05067 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XDH P47989 2/20 0.37
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL10854770 0.86 BPTF (0.46) RAB9ANPC1BPTFALDH1A1MAPK14
SCHEMBL15565563 0.85 BPTF (0.46) RAB9ABPTFALDH1A1MAPK14
SCHEMBL15565769 0.85 BPTF (0.46) RAB9ANPC1BPTFHPGDMAPK14
SCHEMBL9235020 0.84 ALDH1A1 (0.50) RAB9AMEN1KMT2ANPC1GALR3
SCHEMBL9237268 0.83 RAB9A (0.44) RAB9AMEN1KMT2ANPC1GALR3
SCHEMBL9232300 0.83 RAB9A (0.63) RAB9AMEN1KMT2ANPC1GALR3
SCHEMBL16901937 0.82 BPTF (0.43) RAB9ABPTFALDH1A1HPGDMAPK14
SCHEMBL15566104 0.81 BPTF (0.45) BPTFAPPMAPK14
SCHEMBL15564823 0.81 BPTF (0.42) RAB9ANPC1BPTFNR4A2MAPK14
SCHEMBL15596673 0.81 RAB9A (0.46) RAB9AMEN1KMT2ANPC1BPTF

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
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