SCHEMBL9277705

SCHEMBL9277705

CCc1cc2cccnc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TLR8 Q9NR97 2/20 0.35
CCR1 P32246 3/20 0.34
CCR8 P51685 3/20 0.34
MAPT P10636 3/20 0.34
CCR5 P51681 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL20181538 0.86 TLR8 (0.50) CYP2A6ALDH1A1TLR8CCR1CCR8
SCHEMBL8570708 0.81 NR4A2 (0.35) CYP2A6ALDH1A1TLR8CCR1CCR8
SCHEMBL24006105 0.81 ELANE (0.36) CYP2A6ALDH1A1CCR1CCR8MAPT
SCHEMBL3564812 0.75 PSMD14 (0.34) SGMS2CYP2A6ALDH1A1CCR1CCR8
SCHEMBL128666 0.75 ALDH1A1 (0.42) CYP2A6ALDH1A1CCR1CCR8MAPT
SCHEMBL2624387 0.72 CCR1 (0.37) CYP2A6ALDH1A1CCR1CCR8MAPT
SCHEMBL18660657 0.71 HTT (0.38) ALDH1A1CCR1CCR8MAPTCCR5
SCHEMBL16901678 0.71 ALDH1A1 (0.42) ALDH1A1CCR1CCR8MAPTCCR5
SCHEMBL15966361 0.71 HTT (0.42) ALDH1A1CCR1CCR8MAPTCCR5
SCHEMBL15935208 0.70 ALDH1A1 (0.35) CYP2A6ALDH1A1CCR1CCR8MAPT

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-5389425-A Packaging materials COURTAULDS PACKAGING LIMITED (GB) 1995-02-14 US disclosed
EP-0483315-A1 PACKAGING MATERIALS COURTAULDS PACKAGING LIMITED (GB) 1992-05-06 EP disclosed
WO-1991017202-A1 PACKAGING MATERIALS COURTAULDS PACKAGING LIMITED (GB) 1991-11-14 WO disclosed