SCHEMBL21737619

SCHEMBL21737619

CC(C)(C)c1cc(Br)sc1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
HPN P05981 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL21737534 0.76 ALDH1A1 (0.35) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21720254 0.76 MAPT (0.35) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL10124327 0.74 CA2 (0.34) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21737787 0.74 ALDH1A1 (0.34) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21720050 0.74
SCHEMBL21721636 0.73 MAPT (0.32) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21737536 0.73 KDM4E (0.32) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21721320 0.73 MAPT (0.32) MAPTALOX15KDM4EALDH1A1CYP1A2
SCHEMBL21721579 0.73
SCHEMBL21721251 0.70 CA1 (0.41) MAPTALOX15KDM4EALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed