SCHEMBL28630852

SCHEMBL28630852

CC1(C)OB(c2cc3c(c(C(F)(F)F)c2)NCC3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CRHBP P24387 1/20 0.30
CASP1 P29466 1/20 0.30
CYP2C19 P33261 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 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
SCHEMBL20865747 0.82 LPL (0.37) LPLLIPG
SCHEMBL21493492 0.82 KIF11 (0.35) ARLPLLIPGCYP1A2
SCHEMBL28654934 0.80 LPL (0.33) LPLLIPG
SCHEMBL19098449 0.80 ESR2 (0.32) LPLLIPG
SCHEMBL20865722 0.79 MEN1 (0.33) LPLLIPGMEN1CYP1A2KMT2A
SCHEMBL18189341 0.77 LIPG (0.34) ARLPLLIPG
SCHEMBL28660659 0.77 CSF1R (0.33) LPLLIPGMEN1KMT2A
SCHEMBL28658657 0.77 LPL (0.35) LPLLIPG
SCHEMBL29086753 0.70 ROCK1 (0.31) LPLLIPG
SCHEMBL12470951 0.70 DRD2 (0.45) LPLLIPG

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-107750250-B Indolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-09-07 CN disclosed