SCHEMBL12840891

SCHEMBL12840891

C=CC(=O)N1CCC(NC(=O)CN(C)c2ccc(N)c(OC)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
KRAS P01116 6/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
FGFR1 P11362 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
HTR4 Q13639 1/20 0.36
TEAD1 P28347 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12840898 0.81 EGFR (0.49) EGFRFGFR1TEAD1
SCHEMBL12840918 0.80 EGFR (0.42) EGFRFGFR1
SCHEMBL28787353 0.79 HTR4 (0.46) ALDH1A1HTR4
SCHEMBL13362107 0.73 ALDH1A1 (0.44) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL28787314 0.71 TEAD1 (0.56) ALDH1A1TEAD1LMNA
SCHEMBL13362051 0.70 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2PKMHTR4
SCHEMBL28787311 0.70 HSD11B1 (0.52) ALDH1A1SMN1; SMN2HTR4LMNA
SCHEMBL12840913 0.69 JAK3 (0.48) EGFRALDH1A1
SCHEMBL28787352 0.69 MAPKAPK2 (0.51) HTR4
SCHEMBL13362035 0.68 ALDH1A1 (0.44) ALDH1A1LMNA

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
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed