SCHEMBL28057743

SCHEMBL28057743

CCOC(=O)c1ccc(NC)cc1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.45
CDC25B P30305 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
HPGD P15428 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
SCHEMBL6582150 0.88 SMN1; SMN2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6578899 0.86 MCL1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5925555 0.84 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL11815650 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL21751026 0.83 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL8856886 0.83 KMT2A (0.50) CA12CA1CA2CA7CA9
SCHEMBL14217003 0.83 MAPK1 (0.52) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6382375 0.81 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL6577045 0.80 RAB9A (0.52) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6382400 0.80 KDM4E (0.52) CA12CA1CA2CA7CA9

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
CN-105561377-A Degradable photocuring medical adhesive and preparation and application thereof NAT UNIV DONG HWA 2016-05-11 CN disclosed