SCHEMBL21034418

SCHEMBL21034418

COC(=O)COc1ncccc1Oc1cc(C)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
LMNA P02545 2/20 0.43
SCN9A Q15858 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
CARM1 Q86X55 2/20 0.38
P2RY1 P47900 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ROCK2 O75116 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KCNN4 O15554 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL21902914 0.90 PPOX (0.42) MAPK8LMNASCN9AP2RY1KMT2A
SCHEMBL22488063 0.88 MAPK8 (0.43) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL3250748 0.88 MAPK8 (0.43) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034914 0.85 MEN1 (0.43) MAPK8LMNAKMT2AKDM4EMAPT
SCHEMBL3955026 0.85 ATM (0.42) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034417 0.85 LMNA (0.46) MAPK8LMNASCN9ACARM1P2RY1
SCHEMBL22487899 0.84 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21035048 0.84 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL6639473 0.84 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034409 0.82 LMNA (0.48) MAPK8LMNAKMT2AKDM4EMAPT

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-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed