SCHEMBL7876978

SCHEMBL7876978

NC(=O)c1cccnc1NC(=O)[CH]C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
AHR P35869 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.38
CYP1A2 P05177 2/20 0.38
RPS6KB1 P23443 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL3718998 0.75 MAPT (0.52) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL2713154 0.73 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL2718370 0.72 SYK (0.53) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL29896827 0.72 BTK (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4584445 0.72 MAPT (0.55) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4414124 0.72 PARP1 (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL29908356 0.72 PARP1 (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL30470502 0.72 PRMT5 (0.49) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL30469627 0.71 PRMT5 (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL30471109 0.71 PRMT5 (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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