SCHEMBL17058160

SCHEMBL17058160

O=C(Cc1ccccc1)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 3/20 0.41
▸ ME2 P23368 2/20 0.39
▸ ME1 P48163 2/20 0.39
▸ ME3 Q16798 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL11943855 0.91 ALDH1A1 (0.41) MAPTPKMALOX12ALDH1A1SMN1; SMN2
SCHEMBL17057930 0.90 POLB (0.45) MAPTPKMALOX12ALDH1A1SMN1; SMN2
SCHEMBL17058335 0.87 ALDH1A1 (0.48) MAPTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL11943853 0.86 ALDH1A1 (0.49) MAPTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL11943858 0.86 ALDH1A1 (0.40) MAPTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL17058164 0.85 ALDH1A1 (0.38) MAPTPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11943857 0.84 ALDH1A1 (0.44) PKMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL17058437 0.84 ALDH1A1 (0.40) MAPTPKMALDH1A1SMN1; SMN2KDM4E
SCHEMBL17058188 0.84 NPC1 (0.39) MAPTPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11943820 0.83 HTR1A (0.39) MAPTALDH1A1LMNAHSD17B10POLB

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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