SCHEMBL19953141

SCHEMBL19953141

NC(=O)C(Br)Cc1ccc([18F])cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
TRPA1 O75762 1/20 0.43
CPA1 P15085 1/20 0.42
PTPN1 P18031 1/20 0.42
IDO1 P14902 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL20766143 0.82 CPA1 (0.51) TRPA1CPA1PPARGPPARA
SCHEMBL8335791 0.82 CPA1 (0.51) TRPA1CPA1PPARGPPARA
SCHEMBL5246633 0.80 EPHX1 (0.58) EPHX1CPA1
SCHEMBL7772237 0.80 EPHX1 (0.46) EPHX1TRPA1CPA1IDO1LOXL2
SCHEMBL27597075 0.80 EPHX1 (0.58) EPHX1CPA1
SCHEMBL24302683 0.78 EPHX1 (0.45) EPHX1TRPA1CPA1IDO1LOXL2
SCHEMBL8122117 0.78 SLC7A5 (0.48) EPHX1TRPA1CPA1
SCHEMBL1907744 0.78 EPHX1 (0.45) EPHX1TRPA1CPA1IDO1LOXL2
SCHEMBL10348775 0.78 SLC7A5 (0.48) EPHX1TRPA1CPA1
SCHEMBL12028778 0.78 SLC7A5 (0.48) EPHX1TRPA1CPA1

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-2018048856-A1 METHOD FOR EFFICIENT RADIOLABELING OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-15 WO disclosed