SCHEMBL17058153

SCHEMBL17058153

CCOCCOc1c(N2CCN(SO)CC2)cnn(-c2ccccc2F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.40
▸ MAPT P10636 2/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A2 P11168 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL17058161 0.89 SCN9A (0.38) SCN9AMAPTSLC2A1SLC2A2SLC2A3
SCHEMBL17058249 0.88 SCN9A (0.37) SCN9AMAPTSLC2A1SLC2A2SLC2A3
SCHEMBL11945079 0.85 ALDH1A1 (0.51) SCN9AMAPTLMNAGAAHTT
SCHEMBL11945080 0.83 KDM4E (0.57) SCN9AMAPTLMNAGAAHTT
SCHEMBL11943958 0.83 HSD17B10 (0.43) SCN9AMAPTLMNAGAAHTT
SCHEMBL11943957 0.81 HSD17B10 (0.46) SCN9AMAPTLMNAGAAHTT
SCHEMBL17058243 0.76 ALDH1A1 (0.36) MAPTSLC2A1SLC2A3LMNAGAA
SCHEMBL11943539 0.75 SMN1; SMN2 (0.58) MAPTLMNAGAASMN1; SMN2KMT2A
SCHEMBL17058394 0.75 POLB (0.39) MAPTSLC2A1SLC2A2SLC2A3LMNA
SCHEMBL17058284 0.75 SLC2A1 (0.38) MAPTSLC2A1SLC2A2SLC2A3LMNA

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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