SCHEMBL21729520

SCHEMBL21729520

Cc1c(F)cc(C(C)C)c(N)c1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
ADRB2 P07550 2/20 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
SCHEMBL23012879 0.82 GABRA1 (0.34) POLBGAAGFERGABRA1GABRB1
SCHEMBL26674831 0.79 CA1 (0.36) ADRB2
SCHEMBL51159 0.77 CA1 (0.39) GAAADRB2
SCHEMBL21077346 0.73 GABRA1 (0.48) POLBGAAGFERGABRA1GABRB1
SCHEMBL24012440 0.71 ALDH1A1 (0.35) POLBGAAGFER
SCHEMBL740098 0.71 POLB (0.38) POLBGAAGFERGABRA1GABRB1
SCHEMBL20681148 0.71 LMNA (0.36) POLBGAAGFERGABRA1GABRB1
SCHEMBL21379277 0.70 ALDH1A1 (0.38)
SCHEMBL20223455 0.70 GABRA1 (0.35) POLBGAAGFERGABRA1ADRB2
SCHEMBL29478995 0.70 ALDH1A1 (0.38)

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-2020035466-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed