SCHEMBL7873377

SCHEMBL7873377

CC(C)(CCNC(=O)c1ccccn1)[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.46
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7472155 0.77 KMT2A (0.63) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28287261 0.77 KMT2A (0.63) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1254966 0.77 POLB (0.57) KMT2ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7117272 0.77 POLB (0.57) KMT2ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7873371 0.77 KMT2A (0.45) EPHX2KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8889472 0.73 POLB (0.52) KMT2ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL8889475 0.73 POLB (0.52) KMT2ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL19169564 0.72 SMN1; SMN2 (0.68) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL9341104 0.72 KMT2A (0.83) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31658991 0.72 KMT2A (0.83) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed