SCHEMBL7729681

SCHEMBL7729681

[Li]C1(c2ccccn2)C=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
DOHH Q9BU89 1/20 0.30
P4HTM Q9NXG6 1/20 0.30

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
SCHEMBL13330642 0.76 SLC6A2 (0.33) GRIN1GRIN2AGRIN2BKDM4ELMNA
SCHEMBL6900114 0.75 GRIN1 (0.31) GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6895488 0.73 GRIN1 (0.30) GRIN1GRIN2AGRIN2B
SCHEMBL7733564 0.72 CHRM2 (0.31)
SCHEMBL29213169 0.72 HSD11B1 (0.30)
SCHEMBL7824507 0.68 OXTR (0.30)
SCHEMBL9642027 0.66 SLC6A2 (0.33) GRIN1GRIN2AGRIN2B
SCHEMBL5090884 0.63 OXTR (0.33) KDM4E
SCHEMBL6176102 0.62 GAA (0.37) KDM4ELMNA
Hydrochloric Acid SCHEMBL2235407 0.62 HRH1 (0.36) LMNA

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-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed