SCHEMBL11329617

SCHEMBL11329617

CC(C)(C)NS(=O)(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CNR1 P21554 15/20 0.55
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
AKR1B1 P15121 1/20 0.43
CCKAR P32238 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
SCHEMBL4238494 0.81 CA2 (0.61) CA2CNR1AKR1B1CCKAR
SCHEMBL30437414 0.78 CA2 (0.66) CA2CNR1KDM4EALDH1A1AKR1B1
SCHEMBL8476923 0.77 CNR1 (0.62) CA2CNR1AKR1B1CCKAR
SCHEMBL6918547 0.77 CNR1 (0.62) CA2CNR1
SCHEMBL6923052 0.76 CA2 (0.54) CA2CNR1KDM4EHPGDCCKAR
SCHEMBL7014167 0.75 CA2 (0.67) CA2CNR1KDM4EALDH1A1HPGD
SCHEMBL29700986 0.75 CA2 (0.57) CA2CNR1AKR1B1CCKAR
SCHEMBL28568569 0.75 CA2 (0.71) CA2CNR1KDM4EHPGDAKR1B1
SCHEMBL329510 0.73 CA2 (0.69) CA2CNR1KDM4EHPGDAKR1B1
SCHEMBL32681985 0.72 CA2 (1.00) CA2CNR1AKR1B1

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
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed