SCHEMBL6901700

SCHEMBL6901700

CCC(c1nc(N)nc(N)n1)c1ncc[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
TXN P10599 1/20 0.30
TXNRD1 Q16881 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
SCHEMBL5367788 0.92 TXN (0.34) FPR2ADRA2AADRA2BADRA2CADORA3
SCHEMBL28569899 0.80 FPR2 (0.36) FPR2ADRA2AADRA2BADRA2CADORA3
SCHEMBL28566835 0.79 CYP1A2 (0.36) FPR2
SCHEMBL28577410 0.78 CYP1A2 (0.35) FPR2ADRA2AADRA2BADRA2C
SCHEMBL973379 0.77 CDK1 (0.36) FPR2
SCHEMBL28569793 0.77 CDK1 (0.36) FPR2
SCHEMBL5604017 0.74 TXN (0.36) FPR2ADRA2AADRA2BADRA2CTXN
Hydrochloric Acid SCHEMBL29248987 0.72 TXN (0.42) FPR2ADRA2AADRA2BADRA2CTXN
SCHEMBL9343522 0.71 ADRA2A (0.45) FPR2ADRA2AADRA2BADRA2CTXN
SCHEMBL6132133 0.66 NPC1 (0.36) FPR2ADORA3ADORA2AADORA1TXN

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
US-20040099367-A1 Adhesive film and method for manufacturing multilayer printed wiring board comprising the same AJINOMOTO CO., INC. (JP) 2004-05-27 US disclosed