SCHEMBL1075772

SCHEMBL1075772

CCCCCCn1nc(OC)c(N(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.37
SMPD1 P17405 1/20 0.32
TLR8 Q9NR97 5/20 0.32
KDR P35968 5/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC9A1 P19634 2/20 0.31
CNR1 P21554 2/20 0.30
ACHE P22303 2/20 0.30
CNR2 P34972 2/20 0.30
GRK6 P43250 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
SCHEMBL1074895 0.88 ALDH1A1 (0.31)
SCHEMBL725352 0.81 MPO (0.40) MPOSMPD1TLR8KDRSLC9A1
SCHEMBL3774087 0.79 MPO (0.37) MPOSMPD1TLR8KDRHTR2C
SCHEMBL1074197 0.77 TLR8 (0.33) MPOTLR8KDRSLC9A1CNR1
SCHEMBL1074713 0.77 MPO (0.37) MPOSMPD1TLR8KDRHTR2C
SCHEMBL3781653 0.76 ALDH1A1 (0.36) MPOTLR8KDRGRK6
SCHEMBL692560 0.74 MPO (0.40) MPOTLR8SLC9A1
SCHEMBL1073396 0.72 TLR8 (0.31) TLR8CNR1CNR2
SCHEMBL1076188 0.71 HTR2C (0.38) MPOSMPD1TLR8KDRHTR2C
SCHEMBL1075354 0.68 GRK6 (0.34) MPOTLR8HTR2CSLC6A4SLC9A1

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
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed