SCHEMBL5065043

SCHEMBL5065043

CCCCCCC(N)N.c1cnc2c(c1)ccc1ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
CYP3A4 P08684 2/20 0.42
TLR8 Q9NR97 7/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
TLR7 Q9NYK1 3/20 0.39
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL5069333 0.89 MCHR1 (0.46) LMNACYP3A4TLR8HTR2AHTR2C
Nonanoate SCHEMBL27798394 0.79 LMNA (0.57) LMNAHSP90AA1ALOX15TSHRHTT
Alcohol SCHEMBL26637494 0.77 LMNA (0.79) LMNACYP3A4KDM4EMAPTGMNN
SCHEMBL6513577 0.77 LMNA (1.00) LMNACYP3A4KDM4EMAPTGMNN
SCHEMBL8313 0.77 LMNA (1.00) LMNACYP3A4KDM4EMAPTGMNN
Alcohol SCHEMBL27878284 0.76 LMNA (0.77) LMNACYP3A4HTR2AHTR2CHTR2B
Methyl Alcohol SCHEMBL27642901 0.75 LMNA (0.89) LMNACYP3A4KDM4EMAPTGMNN
SCHEMBL15788918 0.75 LMNA (0.96) LMNACYP3A4KDM4EMAPTGMNN
SCHEMBL723791 0.75 LMNA (0.96) LMNACYP3A4KDM4EMAPTGMNN
SCHEMBL7142651 0.75 LMNA (0.96) LMNACYP3A4KDM4EMAPTGMNN

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
EP-1597332-B1 CONDUCTIVE ADHESIVE COMPOSITIONS WITH ELECTRICAL STABILITY AND GOOD IMPACT RESISTANCE FOR USE IN ELECTRONICS DEVICES NAT STARCH CHEM INVEST (US) 2008-05-07 EP claimed