SCHEMBL798418

SCHEMBL798418

O=C1C2CC2(c2cnno2)C(=O)N1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
ALDH1A1 P00352 3/20 0.40
ELANE P08246 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CTSG P08311 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRTN3 P24158 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
EP300 Q09472 1/20 0.37

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
SCHEMBL8968925 0.80 CYP19A1 (0.82) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL10532352 0.74 CYP19A1 (1.00) CYP19A1BACE1BACE2
SCHEMBL10532398 0.71 CYP19A1 (0.70) CYP19A1ALDH1A1KMT2AMEN1BACE1
SCHEMBL8969269 0.67 CYP19A1 (0.62) CYP19A1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10381119 0.66 CYP19A1 (0.82) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL7386254 0.62 ALDH1A1 (0.56) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL20274598 0.62 CYP19A1 (0.47) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL16724579 0.62 CYP19A1 (0.47) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL7386256 0.62 ALDH1A1 (0.56) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL9524373 0.61 ELANE (0.56) CYP19A1ALDH1A1ELANEKMT2AMEN1

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-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed