SCHEMBL17058135

SCHEMBL17058135

CCC[S@+]([O-])N1CCN(c2cnn(-c3ccccc3F)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A2 P11168 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ SCN9A Q15858 8/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.33
▸ SCN10A Q9Y5Y9 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 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
SCHEMBL17057968 0.88 SCN9A (0.36) SLC2A1SLC2A2SLC2A3KDM4ESCN9A
SCHEMBL17058165 0.87 POLB (0.38) SLC2A1SLC2A2SLC2A3TP53KDM4E
SCHEMBL11945056 0.81 KDM4E (0.58) HSD17B10KDM4EGLASCN9ASCN10A
SCHEMBL11943944 0.80 ALDH1A1 (0.54) TP53HSD17B10KDM4EGLASCN9A
SCHEMBL17058435 0.80 SLC2A1 (0.35) SLC2A1SLC2A2SLC2A3HSD17B10KDM4E
SCHEMBL17058020 0.79 GRM2 (0.38) SLC2A1SLC2A2SLC2A3TP53HSD17B10
SCHEMBL17058134 0.79 SLC2A1 (0.37) SLC2A1SLC2A2SLC2A3HSD17B10KDM4E
SCHEMBL11943936 0.79 KDM4E (0.49) HSD17B10KDM4EGLASCN9ASCN10A
SCHEMBL17058256 0.78 POLB (0.37) SLC2A1SLC2A2SLC2A3TP53KDM4E
SCHEMBL17058291 0.78 ALDH1A1 (0.40) KDM4ESMN1; SMN2LMNAPOLBKMT2A

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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