SCHEMBL28102497

SCHEMBL28102497

C=CC(=O)Nc1cc(OC)c(O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.56
BCHE P06276 2/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45

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
SCHEMBL4035376 0.86 PSMB11 (0.57) TGM2BCHELMNAEGFRPSMB11
SCHEMBL1381244 0.82 TGM2 (0.59) TGM2LMNAEGFRF13A1TGM1
SCHEMBL5043916 0.81 TGM2 (0.63) TGM2PKMCYP1A2CYP2C9EGFR
SCHEMBL9864914 0.79 TGM2 (0.59) TGM2PKMLMNAEGFRSRC
SCHEMBL5041890 0.79 TGM2 (0.69) TGM2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27801542 0.78 TGM2 (0.58) TGM2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21834411 0.78 TGM2 (0.58) TGM2EGFRF13A1TGM1
SCHEMBL16053417 0.77 TGM2 (0.64) TGM2LMNAEGFRF13A1TGM1
SCHEMBL9865437 0.74 TGM2 (0.58) TGM2PKMLMNAEGFRF13A1
SCHEMBL12179325 0.74 TGM2 (0.58) TGM2PKMLMNAEGFRSRC

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-106008480-A Quinazoline compound containing cinnamamide structure and preparation method and application thereof 江西科技师范大学 2016-10-12 CN disclosed