SCHEMBL16111924

SCHEMBL16111924

COc1ccc(C(=O)C(=O)C2CC2)cc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
ABL1 P00519 2/20 0.51
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 5/20 0.49
HPSE Q9Y251 1/20 0.46
KLK3 P07288 3/20 0.45
CYP19A1 P11511 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
F12 P00748 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL16109144 0.86 FFAR2 (0.46) ALDH1A1KMT2ALMNAPDE4A
SCHEMBL16109170 0.78 KMO (0.61) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL17779981 0.78 P4HB (0.44) HPSECYP1A2CYP3A4
SCHEMBL16108852 0.78 MKNK1 (0.59) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL23685091 0.74 CYP11B1 (0.56) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL16108767 0.73 KMO (0.57) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL14003313 0.72 CYP11B1 (0.55) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL29775388 0.72 CYP11B2 (0.61) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL8165131 0.72 CYP11B2 (0.61) MKNK1MKNK2ABL1CYP11B1CYP11B2
SCHEMBL18355729 0.72 MKNK1 (0.76) MKNK1MKNK2ABL1CYP11B1CYP11B2

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
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed