SCHEMBL9236956

SCHEMBL9236956

CN(C)Cn1ncc(OCc2ccc(C(C)(C)C)cc2)c(Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 1/20 0.39
▸ PREP P48147 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ APP P05067 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ XDH P47989 2/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL9237268 0.86 RAB9A (0.44) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9239763 0.85 RAB9A (0.43) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9236870 0.84 MAPK14 (0.48) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9235020 0.82 ALDH1A1 (0.50) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9232300 0.81 RAB9A (0.63) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9237515 0.81 PREP (0.43) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9232257 0.81 RAB9A (0.43) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9238789 0.81 RAB9A (0.40) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9239759 0.79 RAB9A (0.44) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL18672266 0.74 SMN1; SMN2 (0.53) KMT2ARAB9AMEN1NPC1GALR3

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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