SCHEMBL17058249

SCHEMBL17058249

CCOCCOc1c(N2CCN(SCc3ccccc3)CC2)cnn(-c2ccccc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SLC2A1 P11166 3/20 0.35
▸ SLC2A3 P11169 3/20 0.35
▸ SLC2A2 P11168 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33

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 0.90 SCN9A (0.38) SCN9ASMN1; SMN2SLC2A1SLC2A3SLC2A2
SCHEMBL17058243 0.88 ALDH1A1 (0.36) SMN1; SMN2SLC2A1SLC2A3LMNAGAA
SCHEMBL17058153 0.88 SCN9A (0.40) SCN9ASMN1; SMN2SLC2A1SLC2A3SLC2A2
SCHEMBL17058284 0.87 SLC2A1 (0.38) SMN1; SMN2SLC2A1SLC2A3SLC2A2LMNA
SCHEMBL17058031 0.84 MAPT (0.41) SMN1; SMN2LMNAGAAALDH1A1DCTPP1
SCHEMBL11943957 0.84 HSD17B10 (0.46) SCN9ASMN1; SMN2LMNAGAAHTT
SCHEMBL11945079 0.82 ALDH1A1 (0.51) SCN9ASMN1; SMN2LMNAGAAHTT
SCHEMBL17058177 0.81 SCN9A (0.35) SCN9ASMN1; SMN2SLC2A1SLC2A3SLC2A2
SCHEMBL11943958 0.80 HSD17B10 (0.43) SCN9ASMN1; SMN2LMNAGAAHTT
SCHEMBL11945080 0.80 KDM4E (0.57) SCN9ASMN1; SMN2LMNAGAAHTT

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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