SCHEMBL11515705

SCHEMBL11515705

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA12 O43570 2/20 0.71
CA7 P43166 2/20 0.71
CA9 Q16790 2/20 0.71
CA14 Q9ULX7 2/20 0.71
MAPT P10636 4/20 0.69
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
POLB P06746 1/20 0.55
PTPN1 P18031 1/20 0.53

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
SCHEMBL11725822 0.94 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL72464 0.92 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL6538953 0.90 CA1 (0.81) CA1CA2CA12CA7CA9
SCHEMBL969070 0.88 MAPT (0.72) CA1CA2CA12CA7CA9
SCHEMBL12948025 0.88 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL27653487 0.87 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL27653484 0.87 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL27653499 0.87 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL23600 0.87 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.87 CA1 (0.80) CA1CA2CA12CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164480-A POLYMER STABILIZERS EASTMAN KODAK COMPANY (US) 1979-08-14 US disclosed
US-4043976-A N,N'-DIBENZOYLHYDRAZINE DERIVATIVE UBE INDUSTRIES, LTD. (JA) 1977-08-23 US disclosed
US-3939115-A OXADIAZOLES EASTMAN KODAK COMPANY (US) 1976-02-17 US disclosed