SCHEMBL17058435

SCHEMBL17058435

CCC1CCC(Oc2c(N3CCN([S+]([O-])Cc4ccccc4)CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.35
▸ SLC2A3 P11169 3/20 0.35
▸ SLC2A2 P11168 2/20 0.35
▸ SCN9A Q15858 9/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17058134 0.90 SLC2A1 (0.37) SLC2A1SLC2A3SLC2A2SCN9ASCN10A
SCHEMBL17057968 0.88 SCN9A (0.36) SLC2A1SLC2A3SLC2A2SCN9ASCN10A
SCHEMBL17057909 0.84 SCN9A (0.38) SLC2A1SLC2A3SLC2A2SCN9ASCN10A
SCHEMBL11945063 0.84 HSD17B10 (0.44) SCN9ASCN10AKDM4EMAPTHSD17B10
SCHEMBL11945066 0.82 ALDH1A1 (0.49) SCN9ASCN10AKDM4ESMN1; SMN2MAPT
SCHEMBL17058337 0.81 SCN9A (0.36) SLC2A1SLC2A3SLC2A2SCN9ASCN10A
SCHEMBL14081346 0.80 NPC1 (0.32) SCN9ASCN10ASMN1; SMN2MAPT
SCHEMBL11945064 0.80 KDM4E (0.55) SCN9ASCN10AKDM4ESMN1; SMN2MAPT
SCHEMBL17058135 0.80 SLC2A1 (0.35) SLC2A1SLC2A3SLC2A2SCN9ASCN10A
SCHEMBL17058328 0.79 NPC1 (0.35) SLC2A1SLC2A3SLC2A2KDM4ESMN1; SMN2

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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