SCHEMBL10173004

SCHEMBL10173004

CC(C)(C)OC(=O)O/N=C(/N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.57
KLF5 Q13887 1/20 0.57
NOD1 Q9Y239 1/20 0.57
USP2 O75604 1/20 0.57
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
PKM P14618 6/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL7658362 0.85 USP2 (0.49) TNFKLF5NOD1USP2NPC1
SCHEMBL11321880 0.85 AAK1 (0.46) TNFKLF5NOD1USP2SMN1; SMN2
SCHEMBL10842026 0.84 CYP2C19 (0.50) TNFKLF5NOD1USP2NPC1
SCHEMBL10842020 0.84 CYP2C19 (0.50) TNFKLF5NOD1USP2NPC1
SCHEMBL11324498 0.80 CES2 (0.46) TNFKLF5NOD1USP2CDK5
SCHEMBL7045591 0.80 ELANE (0.41) TNFKLF5NOD1USP2NPC1
SCHEMBL11324501 0.80 CES2 (0.46) TNFKLF5NOD1USP2CDK5
SCHEMBL409974 0.78 PLA2G7 (0.50) TNFKLF5NOD1USP2RAB9A
SCHEMBL209659 0.78 PLA2G7 (0.50) TNFKLF5NOD1USP2RAB9A
SCHEMBL209658 0.78 PLA2G7 (0.50) TNFKLF5NOD1USP2RAB9A

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
WO-2012020108-A2 MULTIMERIC INHIBITORS OF VIRAL FUSION AND USES THEREOF CORMUS SRL (IT) 2012-02-16 WO disclosed