SCHEMBL28040913

SCHEMBL28040913

NCC(N)(CN)c1cc(C(N)(CN)CN)c(O)c(C(N)(CN)CN)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL5805284 0.76 ESR1 (0.43) ESR1ESR2CA1CA2
SCHEMBL5983532 0.72 ESR1 (0.36) ESR1ESR2CA1CA2
SCHEMBL14840226 0.70 ESR1 (0.40) ESR1ESR2
SCHEMBL10008787 0.69 HIF1A (0.43)
SCHEMBL11505318 0.69 ESR1 (0.37) ESR1ESR2
SCHEMBL14840470 0.69 CNR1 (0.35) ESR1ESR2
SCHEMBL5570006 0.68 CA2 (0.50) ESR1ESR2CA1CA2
SCHEMBL14840313 0.67 CNR1 (0.38)
SCHEMBL5570004 0.67 CA2 (0.48) CA1CA2
SCHEMBL634193 0.67 TAAR1 (0.45) CA1CA2

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-105102499-B Resin mixture based on epoxy (meth) acrylate resin and use thereof 喜利得股份公司 2017-03-29 CN disclosed
CN-105102499-A Resin mixture based on epoxy (meth) acrylate resin and use thereof HILTI AG 2015-11-25 CN disclosed