SCHEMBL17057909

SCHEMBL17057909

CCC1CCC(Oc2c(N3CCN(S)CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.38
▸ SCN10A Q9Y5Y9 3/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 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
SCHEMBL11945066 0.88 ALDH1A1 (0.49) SCN9ASCN10AHSD17B10LMNAGAA
SCHEMBL17058134 0.87 SLC2A1 (0.37) SCN9ASCN10ASLC2A1SLC2A2SLC2A3
SCHEMBL17058337 0.87 SCN9A (0.36) SCN9ASCN10ASLC2A1SLC2A2SLC2A3
SCHEMBL11945064 0.86 KDM4E (0.55) SCN9ASCN10AHSD17B10LMNAGAA
SCHEMBL11945063 0.84 HSD17B10 (0.44) SCN9ASCN10AHSD17B10GAAHTT
SCHEMBL17058435 0.84 SLC2A1 (0.35) SCN9ASCN10ASLC2A1SLC2A2SLC2A3
SCHEMBL11943942 0.82 TSHR (0.49) SCN9AHSD17B10LMNAGAAHTT
SCHEMBL17058375 0.74 ALDH1A1 (0.39) SLC2A1SLC2A3LMNAHTTALDH1A1
SCHEMBL11945056 0.73 KDM4E (0.58) SCN9ASCN10AHSD17B10LMNAALDH1A1
SCHEMBL11945027 0.73 MAPT (0.49) HSD17B10LMNAGAAALDH1A1TSHR

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
Send feedback