Sugi Predict

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Lithium

Lithium

SCHEMBL30748652

N#Cc1nc(C(F)(F)F)[nH]c1C#N.[Li].[Li]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CSNK2A1 P68400 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32

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
SCHEMBL2034224 0.98 ALDH1A1 (0.42) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
SCHEMBL21194948 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
SCHEMBL2384447 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
Potassium SCHEMBL31463361 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
SCHEMBL25343357 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
Ammonia Solution, Strong SCHEMBL31709613 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
SCHEMBL25384999 0.96 ALDH1A1 (0.41) ALDH1A1MAPK1CSNK2A1NPSR1CSNK2A2
SCHEMBL9998730 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1
SCHEMBL2037395 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1
SCHEMBL9998807 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1

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
CN-117384097-A Preparation and purification method of 4, 5-dicyano-2-trifluoromethyl imidazole 浙江大学 2024-01-12 — — CN disclosed