SCHEMBL4265964

SCHEMBL4265964

CC(C)Cn1ccnc1SCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.60
CYP3A4 P08684 5/20 0.60
CYP2D6 P10635 5/20 0.60
CYP2C9 P11712 5/20 0.60
CYP2C19 P33261 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALOX12 P18054 1/20 0.60
L3MBTL1 Q9Y468 5/20 0.51
ALOX15B O15296 3/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL21646212 0.76 BRD4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14970909 0.75 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27758866 0.75 SLC29A1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9377266 0.69 L3MBTL1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9744553 0.69 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24944906 0.68 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7215334 0.67 MEN1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6765169 0.67 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL924821 0.67 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5801622 0.66 ALDH1A1 (0.63) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9134311-B2 Methods and compositions for treating and preventing malaria using an invasion ligand directed to a protease-resistant receptor WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-09-15 US disclosed
US-9109040-B2 Treatment and prevention of malaria THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-08-18 US disclosed
US-8703147-B2 Methods and compositions for treating and preventing malaria (2) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-04-22 US disclosed
US-20140010816-A1 TREATMENT AND PREVENTION OF MALARIA THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-01-09 US disclosed
WO-2012061882-A1 TREATMENT AND PREVENTION OF MALARIA THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-05-18 WO disclosed
US-20110311571-A1 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MALARIA USING AN INVASION LIGAND DIRECTED TO A PROTEASE-RESISTANT RECEPTOR CAPITAL ROYALTY PARTNERS II - PARALLEL FUND "A" L.P. 2011-12-22 US disclosed
US-20090202579-A1 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MALARIA (2) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL (AU) 2009-08-13 US disclosed
US-20090175895-A1 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MALARIA THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-07-09 US disclosed