SCHEMBL1684140

SCHEMBL1684140

CN(C)Cc1c[nH]c2c(Cc3ccc(F)cc3F)nc(C(=O)N(C)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
GPR84 Q9NQS5 1/20 0.33
KMT2A Q03164 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
KCNH2 Q12809 1/20 0.33
MPO P05164 5/20 0.32
PARP1 P09874 1/20 0.32
RET P07949 2/20 0.32
KDR P35968 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL4805912 0.85 GUCY1A1 (0.33) RIPK1KMT2AGUCY1A1GUCY1B1KCNH2
SCHEMBL1684143 0.73 RIPK1 (0.42) RIPK1KMT2AMPOCYP3A4CYP2D6
SCHEMBL1684138 0.69 MPO (0.37) RIPK1KMT2AMPOCYP3A4CYP2D6
SCHEMBL6856773 0.67 RIPK1 (0.53) RIPK1KMT2ASLC6A4
SCHEMBL2951355 0.67 FSCN1 (0.38) RIPK1KCNH2PTGDR2
SCHEMBL1684121 0.65 RIPK1 (0.46) RIPK1MPOCYP3A4SLC6A4
SCHEMBL1684177 0.64 RIPK1 (0.45) RIPK1CYP3A4SLC6A4
SCHEMBL1684122 0.63 RIPK1 (0.43) RIPK1MPOSLC6A4
SCHEMBL1241322 0.61 GPR84 (0.67) GPR84KMT2AMPOCYP3A4CYP2D6
SCHEMBL3216581 0.61 MPO (0.72) GPR84KMT2AMPOCYP3A4CYP2D6

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed