SCHEMBL9306054

SCHEMBL9306054

C1=CN=CC(=CNc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NAMPT P43490 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAP1LC3B Q9GZQ8 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
SCHEMBL9306051 0.62 HSP90AA1 (0.36) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL9306060 0.62 HSP90AA1 (0.36) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL16465058 0.61 ALDH1A1 (0.60) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL9305326 0.61 HSP90AA1 (0.41) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL9305337 0.61 HSP90AA1 (0.41) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL27534398 0.59 NAMPT (0.49) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL9802516 0.58 ALDH1A1 (0.51) ALDH1A1HSP90AA1HSP90AB1NAMPTSMN1; SMN2
SCHEMBL223592 0.57 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL223591 0.57 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL7492108 0.57 ALDH1A1 (0.60) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed