SCHEMBL8930605

SCHEMBL8930605

Fc1ccc(C(Cl)c2cncnc2C(F)(F)Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP19A1 P11511 4/20 0.35
CYP1A2 P05177 2/20 0.33
CYP17A1 P05093 1/20 0.33
P4HB P07237 2/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8930547 0.88 CYP19A1 (0.40) CYP19A1CYP3A4
SCHEMBL8930614 0.79 IDO1 (0.34) CYP11B2CYP11B1CYP19A1
SCHEMBL8558949 0.73
SCHEMBL8581331 0.72 CYP19A1 (0.39) CYP11B2CYP11B1CYP19A1MEN1CYP3A4
SCHEMBL8566396 0.70 PDE2A (0.33) CYP11B2CYP11B1
SCHEMBL8930574 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL8930562 0.68 CYP19A1 (0.36) CYP19A1CYP3A4
SCHEMBL8561977 0.68
SCHEMBL6644680 0.66
SCHEMBL8562374 0.66 CYP11B2 (0.41) CYP11B2CYP11B1

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 2 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