SCHEMBL8930574

SCHEMBL8930574

CN(C)C(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.36
SRC P12931 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRNA7 P36544 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
SCHEMBL8930547 0.81 CYP19A1 (0.40) CYP19A1LMNATP53HPGDTSHR
SCHEMBL8581331 0.80 CYP19A1 (0.39) CYP19A1LMNATP53HPGDTSHR
SCHEMBL8930562 0.77 CYP19A1 (0.36) CYP19A1
SCHEMBL27464965 0.72 TSHR (0.38) TSHR
SCHEMBL8930577 0.71 L3MBTL1 (0.33) CYP19A1
SCHEMBL8930605 0.70 CYP11B2 (0.36) CYP19A1
SCHEMBL8566396 0.69 PDE2A (0.33)
SCHEMBL8930614 0.69 IDO1 (0.34) CYP19A1
SCHEMBL8561977 0.67
SCHEMBL8581227 0.67 CYP19A1 (0.40) CYP19A1

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