SCHEMBL17058134

SCHEMBL17058134

CCC1CCC(Oc2c(N3CCN([S+](C)[O-])CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ SCN9A Q15858 9/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17058435 0.90 SLC2A1 (0.35) SLC2A1SLC2A2SLC2A3SCN9ASCN10A
SCHEMBL17057909 0.87 SCN9A (0.38) SLC2A1SLC2A2SLC2A3SCN9ASCN10A
SCHEMBL11945066 0.85 ALDH1A1 (0.49) SCN9ASCN10AHSD17B10LMNAGAA
SCHEMBL17058337 0.83 SCN9A (0.36) SLC2A1SLC2A2SLC2A3SCN9ASCN10A
SCHEMBL11945064 0.83 KDM4E (0.55) SCN9ASCN10AHSD17B10LMNAGAA
SCHEMBL11945063 0.81 HSD17B10 (0.44) SCN9ASCN10AHSD17B10GAAHTT
SCHEMBL11943942 0.80 TSHR (0.49) SCN9AHSD17B10LMNAGAAHTT
SCHEMBL17058135 0.79 SLC2A1 (0.35) SLC2A1SLC2A2SLC2A3SCN9ASCN10A
SCHEMBL17058377 0.78 SMN1; SMN2 (0.46) LMNAGAAMAPTCYP1A2POLB
SCHEMBL17057968 0.77 SCN9A (0.36) SLC2A1SLC2A2SLC2A3SCN9ASCN10A

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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