SCHEMBL27818248

SCHEMBL27818248

CCc1ccc(-n2ccnn2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.50
▸ CYP19A1 P11511 1/20 0.48
▸ KEAP1 Q14145 1/20 0.45
▸ PTGER4 P35408 1/20 0.37
▸ BRS3 P32247 1/20 0.36
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL7404546 0.81 NOTUM (0.58) NOTUMCYP19A1KEAP1
SCHEMBL7090693 0.75 NOTUM (0.47) NOTUMCYP19A1KEAP1
SCHEMBL18076592 0.75 NOTUM (0.47) NOTUMCYP19A1KEAP1
SCHEMBL2359098 0.75 NOTUM (0.54) NOTUMCYP19A1KEAP1
SCHEMBL12411773 0.74 NOTUM (0.63) NOTUMCYP19A1KEAP1BRS3
SCHEMBL22325390 0.73 NOTUM (0.53) NOTUMCYP19A1KEAP1
SCHEMBL26918079 0.73 NOTUM (0.57) NOTUMCYP19A1KEAP1
SCHEMBL29084872 0.73 NOTUM (0.61) NOTUMCYP19A1KEAP1BRS3
SCHEMBL17067031 0.72 NOTUM (0.59) NOTUMCYP19A1KEAP1
SCHEMBL10447781 0.72 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3

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
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 — — CN disclosed
Send feedback