SCHEMBL21034409

SCHEMBL21034409

COC(=O)COc1ncccc1Oc1cc(N)c(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTR4 Q13639 1/20 0.38
ROCK2 O75116 2/20 0.37
GRM4 Q14833 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL3250748 0.90 MAPK8 (0.43) LMNAMAPTMAPK8ROCK2
SCHEMBL21034852 0.89 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21034417 0.83 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21034418 0.82 MAPK8 (0.44) LMNAMAPTMAPK8KMT2AKDM4E
SCHEMBL22488063 0.81 MAPK8 (0.43) LMNAMAPTMAPK8THRB
SCHEMBL30704857 0.80 PPOX (0.41) LMNANPC1MAPK8KMT2AKDM4E
SCHEMBL5592842 0.80 PPOX (0.41) LMNANPC1MAPK8KMT2AKDM4E
SCHEMBL22488065 0.80 THRB (0.40) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30704856 0.80 PPOX (0.41) LMNANPC1MAPK8KMT2AKDM4E
SCHEMBL6664397 0.79 LMNA (0.42) LMNASMN1; SMN2MAPTMAPK8KMT2A

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