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SCHEMBL7760842

SCHEMBL7760842

[CH]C1N(c2c(C)cc(C)cc2C)C=CN1c1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL10029426 0.79 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL17532970 0.77 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL12852210 0.76 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL12852204 0.76 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL12852201 0.76 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL22825416 0.74 KDM4E (0.31) ALDH1A1KDM4ERAPGEF4
SCHEMBL21065371 0.74 KDM4E (0.31) ALDH1A1KDM4ERAPGEF4
SCHEMBL21580600 0.74 RAPGEF4 (0.34) ALDH1A1KDM4ERAPGEF4
SCHEMBL18198913 0.74 KDM4E (0.31) ALDH1A1KDM4ERAPGEF4
SCHEMBL15069120 0.74 KDM4E (0.31) ALDH1A1KDM4ERAPGEF4

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
WO-2001072421-A1 POLYMER SUPPORTED CATALYSTS FOR OLEFIN METATHESIS GLAXO GROUP LIMITED (GB) 2001-10-04 — — WO disclosed