SCHEMBL27575720

SCHEMBL27575720

O=C(O)C(Cn1cncn1)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.65
CYP19A1 P11511 6/20 0.47
FDPS P14324 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP51A1 Q16850 1/20 0.40

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
SCHEMBL9719596 0.79 HSP90AA1 (0.76) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL6574965 0.79 HSP90AA1 (1.00) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL11044015 0.78 HSP90AA1 (0.64) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL9283761 0.76 HSP90AA1 (0.58) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL27280681 0.76 HSP90AA1 (0.71) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL10874854 0.76 HSP90AA1 (0.71) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL22439746 0.76 HSP90AA1 (0.57) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL20363953 0.74 HSP90AA1 (0.68) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL11190014 0.74 KMT2A (0.56) HSP90AA1CYP19A1FDPSKMT2AMEN1
SCHEMBL8871073 0.74 HSP90AA1 (0.58) HSP90AA1CYP19A1FDPSKMT2AMEN1

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
CN-100387128-C N- (4, 6-dimethyl pyrimidine-2-yl) aniline sterilization composition YUNSHENG MA (CN) 2008-05-14 CN disclosed
CN-1385069-A N- (4, 6-dimethyl pyrimidine-2-yl) aniline sterilization composition MA YUNSHENG (CN) 2002-12-18 CN disclosed
CN-1359620-A Fungicidal composition XU BOYONG (CN) 2002-07-24 CN disclosed