SCHEMBL19173532

SCHEMBL19173532

NC(=O)NC12CC3CC(C1)CC(c1ccccc1)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ GRIN2D O15399 1/20 0.55
▸ GRIN3B O60391 1/20 0.55
▸ GRIN1 Q05586 1/20 0.55
▸ GRIN2A Q12879 1/20 0.55
▸ GRIN2B Q13224 1/20 0.55
▸ GRIN2C Q14957 1/20 0.55
▸ GRIN3A Q8TCU5 1/20 0.55
▸ USP2 O75604 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ FAAH O00519 1/20 0.47
▸ EPHX2 P34913 2/20 0.44
▸ PGR P06401 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL4212248 0.88 KMT2A (0.60) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL4215171 0.82 KMT2A (0.51) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19173466 0.81 KMT2A (0.50) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19149452 0.79 KMT2A (0.54) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19172941 0.79 KMT2A (0.54) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19173222 0.78 KMT2A (0.47) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL13878591 0.78 EPHX2 (0.47) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19148485 0.78 HSD11B1 (0.63) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL4216875 0.77 GAA (0.51) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL13878649 0.77 GAA (0.51) KMT2AMEN1GRIN2DGRIN3BGRIN1

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
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 — — WO disclosed
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