SCHEMBL10458705

SCHEMBL10458705

C/C(=N\O)c1ccc(NC(=O)NCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPRC P08575 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP17A1 P05093 1/20 0.40
F7 P08709 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPID Q08752 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10456796 1.00 CA12 (0.44) CA12CA1CA2CA9HDAC1
SCHEMBL10458284 0.88 CA12 (0.57) CA12CA1CA2CA9HDAC1
SCHEMBL10458283 0.88 CA12 (0.57) CA12CA1CA2CA9HDAC1
SCHEMBL10458690 0.84 PPID (0.56) CA12CA1CA2CA9HDAC1
SCHEMBL10458688 0.84 PPID (0.56) CA12CA1CA2CA9HDAC1
SCHEMBL10458309 0.83 NLRP3 (0.45) CA12CA1CA2CA9HDAC1
SCHEMBL10458308 0.83 NLRP3 (0.45) CA12CA1CA2CA9HDAC1
SCHEMBL10458385 0.82 CA12 (0.50) CA12CA1CA2CA9HDAC1
SCHEMBL10457931 0.82 HDAC1 (0.46) CA12CA1CA2CA9HDAC1
SCHEMBL10457961 0.81 SMN1; SMN2 (0.40) CA12CA1CA2CA9MAPT

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-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4740611-A N,N'-disubstituted ureas THE STANDARD OIL COMPANY (US) 1988-04-26 US disclosed