SCHEMBL21737536

SCHEMBL21737536

CC(C)(C)c1cc(Br)sc1I

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21721249 0.76 ALDH1A1 (0.35) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21737787 0.74 ALDH1A1 (0.34) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL20844193 0.74 ALDH1A1 (0.34) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21721237 0.74
SCHEMBL21737619 0.73 MAPT (0.32) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21721585 0.73 CHEK1 (0.31)
SCHEMBL21721245 0.73 KDM4E (0.32) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21720256 0.73 KDM4E (0.32) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21721330 0.70 CA1 (0.36) KDM4EALDH1A1CYP1A2MAPTALOX15

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