SCHEMBL9305337

SCHEMBL9305337

C1=COC(=CNc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CTSD P07339 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9305326 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL28180575 0.71 CYP1A2 (0.36) ALDH1A1LMNARAB9AKDM4EMAPT
Benzene SCHEMBL28903623 0.67
SCHEMBL16095460 0.63 ALDH1A1 (0.46) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL9305329 0.63 HSP90AA1 (0.45) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL1310396 0.63 ALDH1A1 (0.46) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL27534398 0.61 NAMPT (0.49) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL9306054 0.61 ALDH1A1 (0.37) HSP90AA1HSP90AB1NAMPTALDH1A1SMN1; SMN2
SCHEMBL2639737 0.61
SCHEMBL223592 0.60 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNANPC1RAB9A

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