SCHEMBL11463578

SCHEMBL11463578

COc1cccc(NC(=O)C(N)=O)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP6 P55212 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4935684 0.89 CA12 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL11455556 0.89 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL30233758 0.83 ALDH1A1 (0.66) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL11455504 0.83 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL11445340 0.83 GPR35 (0.58) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL4722310 0.82 LMNA (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL11446149 0.81 GPR35 (0.46) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL1030218 0.79 CA12 (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL11535226 0.79 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1SMN1; SMN2GAAPOLB
SCHEMBL11455494 0.79 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4191840-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-04 US disclosed
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US disclosed
US-4154961-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-15 US disclosed
US-4069343-A OXAMIC ACID DERIVATIVES FOR THE PREVENTION OF IMMEDIATE TYPE HYPERSENSITIVITY REACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-17 US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 US disclosed