SCHEMBL7986801

SCHEMBL7986801

COc1cc2[nH]c(=O)c3cncn3c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
LCK P06239 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE9A O76083 1/20 0.36
GABRA5 P31644 2/20 0.35
MPO P05164 2/20 0.35
XDH P47989 2/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL7982902 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983014 0.80 GABRA5 (0.46) LCKALDH1A1KDM4EHPGDGABRA5
SCHEMBL29235288 0.75 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31353079 0.75 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31137048 0.74 SPR (0.38) LCKALDH1A1KDM4EHPGDGRIA1
SCHEMBL31026820 0.73 PARP1 (0.49) LCKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7980590 0.73 PARP1 (0.52) LCKALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29892956 0.73 PARP1 (0.52) LCKALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL31026839 0.72 TP53 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983698 0.72 TP53 (0.35) 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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed