SCHEMBL7873371

SCHEMBL7873371

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 4/20 0.43
EPHX2 P34913 1/20 0.43
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL7873377 0.77 EPHX2 (0.48) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL1515626 0.76 NPC1 (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL7472155 0.75 KMT2A (0.63) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL28287261 0.75 KMT2A (0.63) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL1515392 0.72 NPC1 (0.58) KMT2ASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL8889652 0.71 NPC1 (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL19169564 0.70 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL9384187 0.70 NPC1 (0.72) KMT2ASMN1; SMN2ALDH1A1MEN1ALOX15
SCHEMBL9341104 0.70 KMT2A (0.83) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2
SCHEMBL31658991 0.70 KMT2A (0.83) KMT2ASMN1; SMN2ALDH1A1MEN1EPHX2

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