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Sugi Predict / Compounds / SCHEMBL430442

SCHEMBL430442

SCHEMBL430442

Fc1cccc(Cl)c1-c1nc(NN=CCc2ccc(OC(F)(F)F)cc2)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 14/20 0.46
▸ TYK2 P29597 1/20 0.39
▸ CTSC P53634 1/20 0.38
▸ SLC2A1 P11166 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 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
SCHEMBL415554 0.88 SLC2A1 (0.46) TYK2SLC2A1
SCHEMBL415553 0.88 SLC2A1 (0.46) TYK2SLC2A1
SCHEMBL412716 0.87 CHRNA7 (0.48) CHRNA7TYK2CTSC
SCHEMBL412717 0.87 CHRNA7 (0.48) CHRNA7TYK2CTSC
SCHEMBL10242564 0.87 CHRNA7 (0.48) CHRNA7TYK2CTSC
SCHEMBL414775 0.82 CHRNA7 (0.51) CHRNA7TYK2
SCHEMBL414776 0.82 CHRNA7 (0.51) CHRNA7TYK2
SCHEMBL10242560 0.82 CHRNA7 (0.51) CHRNA7TYK2
SCHEMBL17836745 0.81 CHRNA7 (0.39) CHRNA7CTSCSLC2A1
SCHEMBL17836746 0.81 CHRNA7 (0.39) CHRNA7CTSCSLC2A1

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
EP-2595965-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2013-05-29 — — EP disclosed
WO-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 — — WO disclosed