SCHEMBL11316555

SCHEMBL11316555

Cc1cc(C)c2[nH]c(CP(=O)(O)O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 4/20 0.42
▸ PGK2 P07205 4/20 0.42
▸ KMT2A Q03164 3/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ GGPS1 O95749 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 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
SCHEMBL4363225 0.77 ADORA1 (0.54) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11316545 0.76 PGK1 (0.42) PGK1PGK2KMT2AGRIN2DGRIN3B
SCHEMBL11327709 0.76 KMT2A (0.46) PGK1PGK2KMT2AHSD17B10MEN1
SCHEMBL13907870 0.74 KMT2A (0.40) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13907878 0.74 CACNA1H (0.38) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13907881 0.73 NPC1 (0.37) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11327715 0.73 KMT2A (0.62) KMT2AHSD17B10MEN1MAPTNPC1
SCHEMBL11749723 0.72 TSHR (0.36) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13907874 0.72 CACNA1H (0.37) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10439086 0.71 KMT2A (0.43) KMT2AADORA1MEN1MAPTTDP1

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-4278791-A CORROSION RESISTANCE, WETTING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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