SCHEMBL8930604

SCHEMBL8930604

CCNC(=O)OC(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.33
UTS2R Q9UKP6 2/20 0.33
DGAT1 O75907 1/20 0.33
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CNR2 P34972 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
SCHEMBL27464965 0.82 TSHR (0.38) FFAR2L3MBTL1TSHRCNR2
SCHEMBL8930562 0.77 CYP19A1 (0.36)
SCHEMBL8930606 0.74 TSHR (0.36) FFAR2UTS2RFAAHTP53TSHR
SCHEMBL8930577 0.73 L3MBTL1 (0.33) ALDH1A1L3MBTL1
SCHEMBL8581331 0.72 CYP19A1 (0.39) TP53TSHR
SCHEMBL8930547 0.71 CYP19A1 (0.40) FFAR2TP53L3MBTL1TSHR
SCHEMBL8930574 0.69 CYP19A1 (0.36) TP53TSHR
SCHEMBL8745954 0.69 KDM4E (0.39) TP53TSHRCNR2
SCHEMBL8745915 0.68 CYP3A4 (0.39) ALDH1A1TSHRCNR2
SCHEMBL8930614 0.68 IDO1 (0.34)

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