SCHEMBL7665475

SCHEMBL7665475

Cc1c(NN2C=NCC2)c(Br)cc2nc(C#N)[nH]c12.Cc1c([N+](=O)[O-])ccc2nc(N)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.33

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
SCHEMBL6581950 0.83 — —
SCHEMBL6583629 0.73 GRIA1 (0.39) —
SCHEMBL6581994 0.71 FABP6 (0.37) TYMS
SCHEMBL6579702 0.70 ALDH1A1 (0.48) TYMS
SCHEMBL6583429 0.65 PSMB8 (0.36) —
SCHEMBL6584955 0.63 — —
SCHEMBL7665471 0.61 HTR1D (0.39) —
SCHEMBL6583425 0.60 GRIN2D (0.45) —
SCHEMBL6142558 0.60 TDP1 (0.46) TYMS
SCHEMBL6579436 0.59 TACR2 (0.30) —

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-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 — — US disclosed
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