SCHEMBL21633299

SCHEMBL21633299

CCOC(=O)C1=C(C)C=N[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL21633432 0.73 CYP1A2 (0.43) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL7266904 0.69 CYP1A2 (0.40) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL10886338 0.68 ALDH1A1 (0.42) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL1019601 0.67 CYP1A2 (0.59) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL21843252 0.67 BRD4 (0.56) CYP1A2TSHRALDH1A1KDM4ECA12
SCHEMBL489524 0.65 TSHR (0.52) CYP1A2TSHRALDH1A1KDM4ELMNA
SCHEMBL6623726 0.65 CYP1A2 (0.43) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL26899199 0.65 GABRA1 (0.55) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3010137 0.65 CYP1A2 (0.43) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL4625850 0.64 TSHR (0.61) TSHRALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828177-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-11-29 EP disclosed
EP-3828177-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2021-06-02 EP disclosed
WO-2020022412-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT 三井化学アグロ株式会社 2020-01-30 WO disclosed