SCHEMBL7201567

SCHEMBL7201567

Cc1cc([N+](=O)[O-])cc(C)c1Oc1cccc(S(=O)(=O)Cl)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
AR P10275 2/20 0.39
HTR1A P08908 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
PTGES O14684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 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
SCHEMBL6736474 0.82 MEN1 (0.46) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL27559095 0.79 AR (0.50) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL31440585 0.79 MAPT (0.53) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL6738412 0.74 MEN1 (0.46) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL25422142 0.74 MAPT (0.48) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL27559091 0.73 MEN1 (0.45) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL6179582 0.73 CYP19A1 (0.61) CYP19A1MEN1KMT2AMAPTCYP11B1
SCHEMBL6660357 0.71 MAPT (0.49) CYP19A1MEN1KMT2AMAPTHTR1A
SCHEMBL6738421 0.70 CYP19A1 (0.44) CYP19A1MEN1KMT2AMAPTAR
SCHEMBL9388459 0.70 MEN1 (0.58) CYP19A1MEN1KMT2AMAPTHTR1A

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
US-6599942-B1 Method of lowering LDL cholesterol and Lipoprotein a levels in mammals using such compounds NOVARTIS AG (CH) 2003-07-29 US disclosed