SCHEMBL25844838

SCHEMBL25844838

CC(I)C(=O)Oc1cccc2c(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)cccc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL25844837 0.94 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25845037 0.90 ESR1 (0.32) ESR1ESR2MEN1KMT2AGABRA1
SCHEMBL25845035 0.84 HPGDS (0.34) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL20008868 0.81 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19756010 0.80 ESR1 (0.32) ESR1ESR2MEN1KMT2A
SCHEMBL25476136 0.79 ESR1 (0.30) ESR1ESR2MEN1KMT2A
SCHEMBL25844841 0.78 ESR1 (0.36) ESR1ESR2MEN1KMT2A
SCHEMBL11953038 0.78 ADRB2 (0.41) MEN1KMT2A
SCHEMBL19846385 0.76 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20008839 0.76 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed