SCHEMBL26204809

SCHEMBL26204809

CNCc1c(F)c(F)c(CNC(=O)c2cccc(C(=O)NCc3c(F)c(F)c(CN)c(F)c3F)c2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KLKB1 P03952 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL26204832 0.83 P2RX7 (0.42) KMT2AHPGDKLKB1MEN1ALDH1A1
SCHEMBL29334491 0.80 HDAC8 (0.50) KMT2AGAAHSD17B10MMP13HDAC8
SCHEMBL29332486 0.78 MAPK14 (0.48) KMT2AGAAHSD17B10MMP13HDAC8
SCHEMBL7175171 0.71 CFD (0.62) CFDKMT2AHDAC8HDAC6HDAC2
SCHEMBL15339206 0.68 MMP13 (0.59) CFDKMT2AGAAHSD17B10MMP13
SCHEMBL25888179 0.67 HDAC6 (0.64) CFDKMT2AGAAHSD17B10MMP13
SCHEMBL185381 0.67 L3MBTL1 (0.64) KMT2AMMP13HDAC8HDAC6HDAC2
SCHEMBL26312411 0.66 HDAC8 (0.65) KMT2AGAAHSD17B10MMP13HDAC8
SCHEMBL5338226 0.66 HPGD (0.63) KMT2AGAAMMP13HDAC8HDAC6
SCHEMBL678478 0.66 CA2 (0.68) KMT2ACA1CA2

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-2023163299-A1 CORE-SHELL DYE, NEAR-INFRARED-ABSORPTIVE RESIN COMPOSITION INCLUDING SAME, AND NEAR-INFRARED ABSORPTION FILM 삼성에스디아이 주식회사 2023-08-31 — — WO disclosed
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