SCHEMBL7868094

SCHEMBL7868094

CC(C)([CH]C(=O)Nc1cccnc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 12/20 0.55
NPC1 O15118 10/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NAMPT P43490 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL7024674 0.81 KDM4E (0.51) KDM4EALDH1A1LMNAHTTRAB9A
SCHEMBL7953476 0.78 RECQL (0.61) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL7876589 0.77 KIT (0.40) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL162008 0.76 RAB9A (0.65) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL29655934 0.76 RAB9A (0.65) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL7873434 0.75 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14164232 0.75 ALDH1A1 (0.71) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL3263544 0.75 ALDH1A1 (0.66) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL8271548 0.75 ALDH1A1 (0.66) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL7879166 0.75 RAB9A (0.50) TP53KDM4EHTTRAB9ANPC1

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-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 claimed
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