SCHEMBL6955671

SCHEMBL6955671

COc1ccc(CCNC(=O)C([NH])C(C)C)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
MAPT P10636 1/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.57
NAMPT P43490 1/20 0.56
MEN1 O00255 2/20 0.55

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
SCHEMBL3345207 0.86 CA12 (0.68) LMNACA12CA1CA2CA9
SCHEMBL8378142 0.84 LMNA (0.62) LMNACA12CA1CA2CA9
SCHEMBL6955675 0.84 LMNA (0.62) LMNACA12CA1CA2CA9
SCHEMBL7654597 0.83 CA12 (0.63) LMNACA12CA1CA2CA9
SCHEMBL11807890 0.82 ALDH1A1 (0.65) LMNACA12CA1CA2CA9
SCHEMBL23417613 0.81 CA12 (0.64) LMNACA12CA1CA2CA9
SCHEMBL15970734 0.81 LMNA (0.61) LMNACA12CA1CA2CA9
SCHEMBL20542124 0.80 LMNA (0.60) LMNACA12CA1CA2CA9
SCHEMBL20542122 0.80 LMNA (0.60) LMNACA12CA1CA2CA9
SCHEMBL8488019 0.80 CA12 (0.59) LMNACA12CA1CA2CA9

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed