SCHEMBL27768462

SCHEMBL27768462

O=C(c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 12/20 0.71
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA9 Q16790 3/20 0.60
P2RX7 Q99572 1/20 0.55
NOTUM Q6P988 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RIPK1 Q13546 1/20 0.51

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
SCHEMBL69876 0.89 ESRRA (0.62) ESRRACA1CA2CA4CA9
SCHEMBL28801446 0.87 ESRRA (0.60) ESRRACA1CA2CA4CA9
SCHEMBL23153549 0.85 ESRRA (0.59) ESRRACA1CA2CA4CA9
SCHEMBL19691104 0.85 ESRRA (0.63) ESRRACA1CA2CA4CA9
SCHEMBL23889183 0.85 ESRRA (0.59) ESRRACA1CA2CA4CA9
SCHEMBL28814811 0.84 ESRRA (1.00) ESRRACA1CA2CA4CA9
SCHEMBL27768480 0.83 ESRRA (0.53) ESRRACA1CA2CA4CA9
SCHEMBL27983565 0.83 ESRRA (0.77) ESRRACA1CA2CA4CA9
SCHEMBL27983984 0.81 CA1 (0.66) ESRRACA1CA2CA4CA9
SCHEMBL24380262 0.81 ESRRA (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN claimed
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN disclosed
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