SCHEMBL17057943

SCHEMBL17057943

CC(C)SN1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ DCTPP1 Q9H773 3/20 0.33
▸ RAB9A P51151 4/20 0.32
▸ MAPT P10636 3/20 0.32

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
SCHEMBL17058154 0.84 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058310 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058327 0.82 POLB (0.41) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL14899767 0.82 MAPT (0.34) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058155 0.81 POLB (0.35) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17057996 0.80 POLB (0.36) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058044 0.79 MCHR1 (0.39) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058290 0.79 MCHR1 (0.41) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17057870 0.78 MCHR1 (0.36) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058317 0.77 MCHR1 (0.38) ALDH1A1SMN1; SMN2POLBLMNAKMT2A

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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