SCHEMBL17057830

SCHEMBL17057830

CC(Oc1c(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PANK3 Q9H999 4/20 0.37
▸ ME2 P23368 1/20 0.36
▸ ME1 P48163 1/20 0.36
▸ ME3 Q16798 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL11945490 0.84 MAPT (0.38) POLBMAPTALDH1A1DCTPP1LMNA
SCHEMBL17058186 0.83 MCHR1 (0.34) —
SCHEMBL17058282 0.79 MCHR1 (0.37) KMT2AMEN1ALDH1A1DCTPP1HPGD
SCHEMBL11944627 0.78 MAPT (0.39) POLBMAPTALDH1A1DCTPP1LMNA
SCHEMBL11944633 0.78 MAPT (0.39) POLBMAPTALDH1A1DCTPP1HSD17B10
SCHEMBL17058160 0.74 MAPT (0.46) POLBL3MBTL1ME2ME1ME3
SCHEMBL17058334 0.73 MCHR1 (0.35) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL11952988 0.72 MAPT (0.38) POLBMAPTALDH1A1DCTPP1CYP3A4
SCHEMBL17057930 0.71 POLB (0.45) POLBL3MBTL1KMT2AMAPTMEN1
SCHEMBL17058518 0.71 LMNA (0.41) L3MBTL1KMT2AMAPTMEN1ALDH1A1

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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