SCHEMBL4755871

SCHEMBL4755871

CC(C)(C)OC(=O)NC1CCC1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.50
KLK5 Q9Y337 6/20 0.50
TACR1 P25103 5/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CPB1 P15086 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL1928743 0.93 KMT2A (0.51) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL8280167 0.93 KMT2A (0.51) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL14583914 0.93 KMT2A (0.51) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL4380010 0.93 KMT2A (0.51) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL5435734 0.93 KMT2A (0.54) KLK7KLK5KMT2AL3MBTL1KDM1A
SCHEMBL5645993 0.93 KMT2A (0.54) KLK7KLK5KMT2AL3MBTL1KDM1A
SCHEMBL12734545 0.93 KMT2A (0.54) KLK7KLK5KMT2AL3MBTL1KDM1A
SCHEMBL26926885 0.90 KLK7 (0.48) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL31470310 0.90 KMT2A (0.52) KLK7KLK5TACR1KMT2AL3MBTL1
SCHEMBL3247211 0.84 KMT2A (0.46) KLK7KLK5KMT2AL3MBTL1KDM1A

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-2007754-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115999-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed