SCHEMBL9600534

SCHEMBL9600534

CCCOC(=O)c1ccnc(OCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 4/20 0.58
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOA P21397 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN1A P35498 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL25049487 0.88 KDM4E (0.53) JMJD6ALDH1A1KDM4ENPC1MAPT
SCHEMBL17518844 0.84 JMJD6 (0.77) JMJD6LMNAALDH1A1ESR1CHRM1
SCHEMBL25049489 0.84 KDM4C (0.57) ALDH1A1TSHRKDM4EMAPTACACB
SCHEMBL8406007 0.83 JMJD6 (0.59) JMJD6LMNAALDH1A1ESR1CHRM1
SCHEMBL4090687 0.82 JMJD6 (0.51) JMJD6ESR1
SCHEMBL27953095 0.81 JMJD6 (0.58) JMJD6LMNAALDH1A1ESR1CHRM1
SCHEMBL28765609 0.81 JMJD6 (0.58) JMJD6LMNAALDH1A1ESR1CHRM1
SCHEMBL3723629 0.81 JMJD6 (0.56) JMJD6LMNAESR1CYP1A2CYP3A4
SCHEMBL4087566 0.81 JMJD6 (0.50) JMJD6LMNAESR1CYP1A2CYP3A4
SCHEMBL17412497 0.79 KDM4E (0.54) JMJD6LMNAALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243450-B1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC Corporation (US) 1993-04-28 EP disclosed
EP-0243450-A4 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1989-09-11 EP disclosed
US-4818271-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-04-04 US disclosed
EP-0243450-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1987-11-04 EP disclosed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 WO disclosed