SCHEMBL18699147

SCHEMBL18699147

CCOc1nnc(C(C)C)cc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18699136 0.86 TP53 (0.38)
SCHEMBL17813819 0.81 ALDH1A1 (0.34) ELANEHPGDSMN1; SMN2
SCHEMBL18699197 0.80 ALDH1A1 (0.35)
SCHEMBL17808288 0.77 HMGCR (0.32) ELANE
SCHEMBL20091003 0.75 IRAK4 (0.33)
SCHEMBL16386821 0.73 SLC13A5 (0.40) HPGDSMN1; SMN2
SCHEMBL18751309 0.72 GABRA1 (0.39) HPGDSMN1; SMN2
SCHEMBL17040561 0.72 GABRA1 (0.39) HPGDSMN1; SMN2
SCHEMBL12796017 0.69 CA1 (0.31)
SCHEMBL13636034 0.69 NOS3 (0.34)

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
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed