SCHEMBL8930577

SCHEMBL8930577

N#CCOC(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 2/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL8930562 0.79 CYP19A1 (0.36) CYP19A1IDO1TDO2
SCHEMBL8930547 0.75 CYP19A1 (0.40) L3MBTL1CYP19A1
SCHEMBL8581331 0.74 CYP19A1 (0.39) CYP19A1
SCHEMBL8930574 0.71 CYP19A1 (0.36) CYP19A1
SCHEMBL8930578 0.71 ALDH1A1 (0.32) L3MBTL1CYP19A1ALDH1A1
SCHEMBL8930614 0.69 IDO1 (0.34) CYP19A1IDO1TDO2
SCHEMBL27464965 0.67 TSHR (0.38) L3MBTL1
SCHEMBL8930605 0.65 CYP11B2 (0.36) CYP19A1ALDH1A1CYP1A2CYP2C19
SCHEMBL8566396 0.62 PDE2A (0.33)
SCHEMBL8561977 0.60

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
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed