SCHEMBL14080985

SCHEMBL14080985

Cc1cc(F)cc(-n2ncc(N3CCN(S)CC3)c(OC3CCCC3)c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 7/20 0.37
▸ MCHR1 Q99705 6/20 0.37
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ DCTPP1 Q9H773 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17057821 0.89 POLB (0.38) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL17057920 0.89 MCHR1 (0.37) NPBWR1MCHR1SMN1; SMN2SLC2A1SLC2A3
SCHEMBL17058260 0.87 POLB (0.41) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL14899749 0.85 SMN1; SMN2 (0.45) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL14081539 0.83 ALDH1A1 (0.42) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL17058316 0.82 SLC2A1 (0.35) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL17058437 0.82 ALDH1A1 (0.40) NPBWR1MCHR1SMN1; SMN2SLC2A1SLC2A3
SCHEMBL17058072 0.82 MCHR1 (0.36) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL11944036 0.82 ALDH1A1 (0.48) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL11945607 0.81 HTR1A (0.38) NPBWR1MCHR1SMN1; SMN2LMNAKMT2A

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-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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