SCHEMBL27768480

SCHEMBL27768480

O=C(c1cn(-c2ccncc2)nn1)c1cn(-c2ccncc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 8/20 0.53
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA4 P22748 9/20 0.51
CA9 Q16790 9/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL4708257 0.87 MAOA (0.49) ESRRACA1CA2CA4CA9
SCHEMBL30808842 0.86 MAOA (0.51) ESRRACA1CA2CA4CA9
SCHEMBL27768462 0.83 ESRRA (0.71) ESRRACA1CA2CA4CA9
SCHEMBL12571599 0.82 CA1 (0.64) ESRRACA1CA2CA4CA9
SCHEMBL27983984 0.80 CA1 (0.66) ESRRACA1CA2CA4CA9
SCHEMBL27768446 0.80 ESRRA (0.51) ESRRACA1CA2CA4CA9
SCHEMBL27983544 0.76 ESRRA (0.77) ESRRACA1CA2CA4CA9
SCHEMBL27889079 0.76 CA1 (0.41) ESRRACA1CA2CA4CA9
SCHEMBL27983551 0.73 NOTUM (0.61) ESRRACA1CA2CA4CA9
SCHEMBL69876 0.72 ESRRA (0.62) ESRRACA1CA2CA4CA9

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed