SCHEMBL8930608

SCHEMBL8930608

OC(c1ccc(Cl)cc1)c1cnc(C(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
CYP19A1 P11511 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FFAR2 O15552 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
MAPK1 P28482 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
GAA P10253 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL8930549 0.83 TSHR (0.33) CYP19A1FFAR2MAPK1
SCHEMBL8930575 0.78 CYP19A1 (0.33) CYP19A1GAA
SCHEMBL8566402 0.75 APLNR (0.33)
SCHEMBL8930564 0.75 IDO1 (0.32) IDO1TDO2
SCHEMBL8930607 0.72 FFAR2 (0.32) FFAR2HDAC6
SCHEMBL8930578 0.72 ALDH1A1 (0.32) CYP19A1MAPK1
SCHEMBL8930606 0.71 TSHR (0.36) FFAR2GAA
SCHEMBL8561982 0.71
SCHEMBL27243733 0.71 CYP11B1 (0.39) HDAC6MAPK1IDO1TDO2BRD4
SCHEMBL8562383 0.70 IDO1 (0.33) IDO1TDO2

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 3 patents. 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
CN-1133589-A Novel pyrimidine derivative, herbicide and plant growth regulator NISSAN CHEMICAL IND LTD (JP) 1996-10-16 CN disclosed
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed