SCHEMBL11780243

SCHEMBL11780243

COC(CBr)Cn1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11783947 0.81 ALDH1A1 (0.33) KDM5BALDH1A1
SCHEMBL11783018 0.79 ALDH1A1 (0.34) KDM5BALDH1A1
SCHEMBL2608960 0.79 POLB (0.41) KDM5BALDH1A1
SCHEMBL11781418 0.75 P2RX3 (0.36) —
SCHEMBL25153650 0.75 ALDH1A1 (0.40) KDM5BALDH1A1
SCHEMBL11784400 0.71 ALDH1A1 (0.39) KDM5BALDH1A1
SCHEMBL11785306 0.68 ALDH1A1 (0.34) KDM5BALDH1A1
SCHEMBL11785302 0.68 ALDH1A1 (0.34) KDM5BALDH1A1
SCHEMBL27372069 0.67 ADORA2B (0.39) KDM5BALDH1A1
SCHEMBL11780619 0.67 LMNA (0.39) KDM5BALDH1A1

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
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 — — US disclosed
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