SCHEMBL7879166

SCHEMBL7879166

CC(C)([CH]C(=O)Nc1cnccn1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 7/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1515626 0.79 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7868094 0.75 TP53 (0.57) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5139472 0.75 KMT2A (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4229894 0.74 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31536297 0.74 KMT2A (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL11997717 0.74 KMT2A (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7873434 0.74 KDM4E (0.38) MAPTKMT2AKDM4EGAATHRB
SCHEMBL7024674 0.73 KDM4E (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1076411 0.72 KMT2A (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL30373344 0.72 KMT2A (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT

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