SCHEMBL29952445

SCHEMBL29952445

Cn1nc(-c2ccccc2C(F)(F)F)c(C=O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.44
TRPA1 O75762 1/20 0.38
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL15331593 0.84 HSD11B1 (0.39) HSD11B1TRPA1PIK3R1PIK3CASLC22A12
SCHEMBL29956816 0.84 HSD11B1 (0.44) HSD11B1TRPA1
SCHEMBL15332547 0.82 MAPT (0.36)
SCHEMBL29952755 0.82 LMNA (0.38) HSD11B1
SCHEMBL15331461 0.81 HSD11B1 (0.36) HSD11B1
SCHEMBL15330112 0.80 TDP2 (0.38)
SCHEMBL15330084 0.79 HSD11B1 (0.40) HSD11B1
SCHEMBL15330811 0.77 HSD11B1 (0.35) HSD11B1PIK3R1PIK3CA
SCHEMBL15331147 0.77 BRD4 (0.48)
SCHEMBL29954023 0.75 CSF1R (0.42)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed