SCHEMBL4578438

SCHEMBL4578438

CC(C)c1cc(I)cc(C(C)C)c1N1C=CN(c2c(C(C)C)cc(I)cc2C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47

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
Hydrochloric Acid SCHEMBL942566 0.98 GABRA1 (0.45) GABRA1GABRB1GABRB2
SCHEMBL2737071 0.82 LMNA (0.32)
SCHEMBL4214037 0.82 GABRA1 (0.45) GABRA1GABRB2
SCHEMBL126196 0.75 GABRA1 (0.43) GABRA1GABRB1GABRB2
SCHEMBL13580007 0.74 TSHR (0.35) GABRA1GABRB1GABRB2
Hydrochloric Acid SCHEMBL360317 0.73 GABRA1 (0.41) GABRA1GABRB1GABRB2
SCHEMBL28274528 0.72 TNKS (0.31)
SCHEMBL6458019 0.71 GABRA1 (0.39) GABRA1GABRB1GABRB2
SCHEMBL19905522 0.70 FAAH (0.38) GABRA1GABRB2
SCHEMBL31434318 0.69 DPP4 (0.40) GABRA1GABRB1GABRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120794913-A Blue light free radical compound based on N-heterocyclic carbene skeleton, and preparation method and application thereof 西北大学 2025-10-17 CN disclosed
EP-1937731-A1 POLYMERIZATION METHODS USING THE CATALYSTS LG Chem. Ltd. (KR) 2008-07-02 EP disclosed
WO-2007046611-A1 POLYMERIZATION METHODS USING THE CATALYSTS LG CHEM, LTD. (KR) 2007-04-26 WO disclosed