SCHEMBL17058031

SCHEMBL17058031

CCOCCOc1c(N2CCN(SCc3ccccc3)CC2)cnn(-c2cccc(Cl)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ DCTPP1 Q9H773 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ NPBWR1 P48145 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.37
▸ MCL1 Q07820 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
SCHEMBL17058284 0.92 SLC2A1 (0.38) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL17058399 0.89 POLB (0.42) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL11943816 0.88 LMNA (0.51) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL17058243 0.88 ALDH1A1 (0.36) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL17058287 0.86 NPBWR1 (0.41) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL11943951 0.85 MAPT (0.53) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL17058249 0.84 SCN9A (0.37) MAPTALDH1A1DCTPP1RXFP1SMN1; SMN2
SCHEMBL17058040 0.84 NPSR1 (0.41) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL11943992 0.83 POLB (0.58) MAPTALDH1A1DCTPP1RXFP1NPSR1
SCHEMBL11944002 0.83 MAPT (0.51) MAPTALDH1A1DCTPP1RXFP1NPSR1

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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