SCHEMBL11211682

SCHEMBL11211682

Cc1ncc(OC(=O)NN)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
TKT P29401 3/20 0.33
KDM4E B2RXH2 1/20 0.32
NTRK1 P04629 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4633279 0.82 LMNA (0.44) LMNAP2RX3P2RX2NFKB1BLM
SCHEMBL4046039 0.81 LMNA (0.42) LMNAP2RX3P2RX2NFKB1BLM
SCHEMBL10584431 0.76 ALDH1A1 (0.42) LMNAP2RX3P2RX2NFKB1KDM4E
SCHEMBL5957155 0.71 P2RX3 (0.54) LMNAP2RX3P2RX2
SCHEMBL30068211 0.71 P2RX3 (0.54) LMNAP2RX3P2RX2
SCHEMBL26647089 0.68 LMNA (0.50) LMNAP2RX3P2RX2TKTKDM4E
SCHEMBL29198056 0.68 LMNA (0.42) LMNAP2RX3P2RX2TKTKDM4E
SCHEMBL3618934 0.68 LMNA (0.46) LMNANFKB1KDM4EALDH1A1
SCHEMBL29234060 0.67 SYK (0.36)
SCHEMBL788493 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017772-B1 METHOD OF IMPROVING THE SOLUBILITY OF BIOLOGICALLY ACTIVE AGENTS IN WATER AND IN LOWER ALIPHATIC ALCOHOLS, AND COMPOUNDS HAVING AN IMPROVED SOLUBILITY BAYER AG (DE) 1982-07-28 EP disclosed
EP-0014263-B1 METHOD OF IMPROVING THE SOLUBILITY OF BIOLOGICALLY ACTIVE AGENTS IN WATER AND IN LOWER ALIPHATIC ALCOHOLS, AND COMPOUNDS HAVING AN IMPROVED SOLUBILITY BAYER AG (DE) 1982-05-05 EP disclosed
EP-0017772-A1 Method of improving the solubility of biologically active agents in water and in lower aliphatic alcohols, and compounds having an improved solubility BAYER AG (DE) 1980-10-29 EP disclosed
EP-0014263-A2 Method of improving the solubility of biologically active agents in water and in lower aliphatic alcohols, and compounds having an improved solubility BAYER AG (DE) 1980-08-20 EP disclosed