SCHEMBL7736669

SCHEMBL7736669

CCOC(=O)CCn1c(C)cnc(NN)c1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 0.46
ALDH1A1 P00352 1/20 0.39
KAT2B Q92831 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL7139116 0.87 KDM4E (0.45) ALDH1A1
SCHEMBL6848920 0.81 TNF (0.50) TNFALDH1A1KAT2BLMNA
SCHEMBL6848928 0.80 TNF (0.49) TNFALDH1A1KAT2BLMNA
SCHEMBL28415185 0.76 TNF (0.47) TNFALDH1A1KAT2BLMNA
SCHEMBL6850252 0.76 F2 (0.56) ALDH1A1
SCHEMBL6848933 0.76 TNF (0.40) TNFALDH1A1KAT2BLMNA
SCHEMBL6850182 0.76 KDM4E (0.42) TNFALDH1A1
SCHEMBL7139240 0.75 F2 (0.44)
SCHEMBL11210438 0.69 TNF (0.52) TNFALDH1A1KAT2BLMNA
SCHEMBL5885705 0.67 KDM4E (0.49) ALDH1A1

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-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed