SCHEMBL24869455

SCHEMBL24869455

CC(C)c1cc(I)c(C(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRB1 P18505 1/20 0.38
EIF4A3 P38919 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE2A O00408 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
SCHEMBL15028887 0.86 GABRA1 (0.38) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL4253532 0.84 GABRA1 (0.48) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL12173270 0.84 EIF4A3 (0.42) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL18379738 0.79 EIF4A3 (0.40) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL1911426 0.79 EIF4A3 (0.40) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL10304872 0.77 GABRA1 (0.40) GABRA1GABRB2GABRB1
SCHEMBL531643 0.77 P2RX3 (0.44)
SCHEMBL13319560 0.76 EIF4A3 (0.41) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL13220718 0.73 CA1 (0.39) GABRA1GABRB2GABRB1EIF4A3CA1
SCHEMBL9100329 0.73 EIF4A3 (0.37) GABRA1GABRB2GABRB1EIF4A3CA1

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
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed