SCHEMBL29194337

SCHEMBL29194337

CN(C)C(=O)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21176808 1.00 ALDH1A1 (0.39) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL23420282 0.97 ALDH1A1 (0.37) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL24760 0.84
SCHEMBL6523333 0.84 ALDH1A1 (0.50) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL31004029 0.81
Hydrochloric Acid SCHEMBL31267456 0.81 ALDH1A1 (0.47) ALDH1A1TSHRNFKB1THPOHSD17B10
Bromide SCHEMBL29640683 0.81
Water SCHEMBL28721441 0.81
Hydrochloric Acid SCHEMBL11149001 0.81
Phosphine SCHEMBL28328730 0.81

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
CN-111770918-B Inhibitors of TRPC6 勃林格殷格翰国际公司 2024-02-27 CN disclosed