SCHEMBL20458587

SCHEMBL20458587

NCC12CC3CC4CC(C1)C4(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.45
GRIN3B O60391 5/20 0.45
GRIN1 Q05586 5/20 0.45
GRIN2A Q12879 5/20 0.45
GRIN2B Q13224 5/20 0.45
GRIN2C Q14957 5/20 0.45
GRIN3A Q8TCU5 5/20 0.45
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAD52 P43351 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23269500 0.74 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3717250 0.74 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3723674 0.72 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18638988 0.72 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20458588 0.69 PKM (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4924385 0.69 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21148942 0.68 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21649312 0.65
SCHEMBL7571363 0.65 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21753438 0.65 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-3189064-B1 PLATINUM (IV) COMPLEX WITH INCREASED ANTITUMOR EFFICACY VUAB PHARMA A S (CZ) 2018-08-08 EP disclosed