SCHEMBL20198218

SCHEMBL20198218

C1=CC2=C(CC1)/C(=N/c1ccccc1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TTR P02766 1/20 0.33
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9544601 0.77 TRPA1 (0.33)
SCHEMBL21217189 0.75 TRPA1 (0.33)
SCHEMBL9181176 0.70 PTPRC (0.44) ALDH1A1IDO1LMNAPOLBSMN1; SMN2
SCHEMBL12672548 0.70 MEN1 (0.41) ALDH1A1IDO1LMNAPOLBSMN1; SMN2
SCHEMBL14806769 0.70 ALDH1A1 (0.79) ALDH1A1IDO1LRRK2TTRLMNA
SCHEMBL9510943 0.68 ALDH1A1 (0.84) ALDH1A1IDO1LRRK2TTRLMNA
SCHEMBL13611383 0.67 MAPK1 (0.35) ALDH1A1POLBSMN1; SMN2
SCHEMBL14373992 0.67
SCHEMBL26546841 0.66
SCHEMBL29726351 0.63 MEN1 (0.41) ALDH1A1IDO1LMNAPOLBSMN1; SMN2

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-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed