SCHEMBL11512886

SCHEMBL11512886

CC(=O)ONC(N)=NN=Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 11/20 0.55
▸ GRIN3B O60391 11/20 0.55
▸ GRIN1 Q05586 11/20 0.55
▸ GRIN2A Q12879 11/20 0.55
▸ GRIN2B Q13224 11/20 0.55
▸ GRIN2C Q14957 11/20 0.55
▸ GRIN3A Q8TCU5 11/20 0.55
▸ KMT2A Q03164 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ UBE2N P61088 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ FURIN P09958 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL11511648 0.85 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11512685 0.84 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11754270 0.79 NPSR1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL23858311 0.74 KMT2A (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL17536045 0.74 KMT2A (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL571510 0.74 KMT2A (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL28694173 0.74 KMT2A (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL23858320 0.73 KMT2A (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL23858319 0.73 KMT2A (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Robenidine SCHEMBL25169352 0.73 KMT2A (0.72) 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-4139555-A Recovery of (1-S)-2-oxo-bornane-10-sulphonate BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 — — US disclosed
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