SCHEMBL11117895

SCHEMBL11117895

CCCCCc1cnnc(CCCCC)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 6/20 0.33
NOS2 P35228 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL28169023 0.79 GPR84 (0.42) KCNH2GPR84TDP1L3MBTL1CYP2C9
SCHEMBL3248160 0.79 KCNH2 (0.44) KCNH2GPR84TDP1L3MBTL1MIF
SCHEMBL2359176 0.79 KCNH2 (0.44) KCNH2TDP1L3MBTL1NOS2HRH3
SCHEMBL13978025 0.77 KCNH2 (0.43) KCNH2GPR84TDP1L3MBTL1MIF
SCHEMBL2364044 0.77 MAPT (0.43) KCNH2TDP1L3MBTL1MIFCYP2C9
SCHEMBL11629305 0.76 GPR84 (0.39) KCNH2GPR84L3MBTL1NOS2CYP2C9
SCHEMBL8980571 0.75 KCNH2 (0.52) KCNH2GPR84NOS2HRH3
SCHEMBL2364312 0.74 KCNH2 (0.40) KCNH2TDP1L3MBTL1MIFCYP19A1
SCHEMBL10830973 0.72 KCNH2 (0.44) KCNH2TDP1L3MBTL1MIFCYP19A1
Ammonia Solution, Strong SCHEMBL17372911 0.71 KCNH2 (0.42) KCNH2TDP1L3MBTL1MIFCYP19A1

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-0099438-A1 2-Functionalised diaryl as-triazines useful in therapy PIERRE FABRE S.A. (FR) 1984-02-01 EP disclosed