SCHEMBL21367518

SCHEMBL21367518

CCC(=O)Nc1ccc(Cc2ccc(NC(=O)NC(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
SAE1 Q9UBE0 3/20 0.49
UBA2 Q9UBT2 3/20 0.49
ATM Q13315 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GHSR Q92847 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL12285463 0.85 GAA (0.61) MAPK14CA12CA1CA2CA9
SCHEMBL4232709 0.83 CA12 (0.55) MAPK14CA12CA1CA2CA9
SCHEMBL18804817 0.83 CA12 (0.51) CA12CA1CA2CA9SAE1
SCHEMBL24296447 0.82 CA1 (0.52) CA12CA1CA2CA9SAE1
SCHEMBL24974022 0.82 KMT2A (0.66) CA12CA1CA2CA9ATM
SCHEMBL23613760 0.80 RAB9A (0.64) CA12CA1CA2CA9MEN1
SCHEMBL13449739 0.80 CA12 (0.70) CA12CA1CA2CA9MEN1
Benzene SCHEMBL11580644 0.80 MEN1 (0.67) CA12CA1CA2CA9ATM
SCHEMBL19449476 0.79 CA12 (0.57) CA12CA1CA2CA9ATM
SCHEMBL8737797 0.79 POLB (0.63) MAPK14CA12CA1CA2CA9

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-10723844-B2 Polyurethane/urea compositions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-07-28 US disclosed
US-20190284343-A1 POLYURETHANE/UREA COMPOSITIONS FOLDAX, INC. 2019-09-19 US disclosed