SCHEMBL22314743

SCHEMBL22314743

Cc1ccc2ncc(F)c(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
TNF P01375 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9380208 0.81 LMNA (0.50) LMNAPARP1KDM4EMAPK1HTT
SCHEMBL25390691 0.79 CYP1A2 (0.43) LMNAKDM4EHTTTNFALDH1A1
SCHEMBL5706839 0.78 CYP17A1 (0.44) LMNAKDM4EMAPK1HTR1AADRA1D
SCHEMBL5046238 0.76 ALDH1A1 (0.47) LMNAPARP1KDM4EMAPK1HTT
SCHEMBL5042933 0.75 PKM (0.42) LMNAPARP1KDM4EMAPK1HTR1A
SCHEMBL24010609 0.75 CHRM4 (0.45) LMNAPARP1TNFPKM
SCHEMBL20247529 0.74 PARP1 (0.43) LMNAPARP1KDM4EMAPK1HTT
SCHEMBL10670438 0.73 PKM (0.47) LMNAPARP1KDM4EMAPK1HTT
SCHEMBL7498304 0.73 ALDH1A1 (0.48) LMNAKDM4EMAPK1HTTPKM
SCHEMBL862347 0.73 CCR1 (0.48) LMNAPARP1KDM4EMAPK1HTT

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-2020156512-A1 AROMATIC (HETERO)CYCLIC ETHER COMPOUND HAVING INSECTICIDAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 华东理工大学 2020-08-06 WO disclosed