SCHEMBL1484716

SCHEMBL1484716

NCc1cc(C2CCCCC2)c(C2CCCCC2)cc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ TDO2 P48775 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR1D P28221 2/20 0.33
▸ AOC1 P19801 3/20 0.32
▸ AOC3 Q16853 3/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ CEL P19835 1/20 0.31
▸ PTGDR2 Q9Y5Y4 5/20 0.30
▸ PTGDR Q13258 3/20 0.30
▸ PTGER2 P43116 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
SCHEMBL15345766 0.80 BACE1 (0.40) NUDT1BACE1HTR2AKDM4EMAPT
SCHEMBL15243172 0.79 TDO2 (0.43) NUDT1BACE1TDO2KDM4EMEN1
SCHEMBL3745489 0.73 PTGDR2 (0.42) NUDT1BACE1HTR2ATDO2HTR1D
Hydrochloric Acid SCHEMBL13268822 0.72 PTGDR2 (0.41) NUDT1BACE1HTR2AAOC1AOC3
SCHEMBL3750890 0.71 SLC6A2 (0.40) NUDT1BACE1HTR2AHTR1DPTGDR2
Hydrochloric Acid SCHEMBL3756190 0.69 SLC6A2 (0.39) NUDT1BACE1HTR2AMEN1KMT2A
SCHEMBL15345340 0.68 NUDT1 (0.36) NUDT1BACE1HTR2AMEN1KMT2A
SCHEMBL15345379 0.68 CXCR4 (0.41) NUDT1BACE1CELPTGDR2
SCHEMBL8747669 0.68 NUDT1 (0.54) NUDT1BACE1HTR2ATDO2KDM4E
SCHEMBL15716243 0.68 HTR2A (0.41) NUDT1BACE1HTR2APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940471-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-01-27 — — US disclosed
US-20110076615-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-31 — — US disclosed
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