SCHEMBL28795376

SCHEMBL28795376

C=CC=C(C=C)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MPO P05164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PLOD2 O00469 2/20 0.32
PLOD3 O60568 2/20 0.32
PLOD1 Q02809 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL14568166 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL20018104 0.82 SMN1; SMN2 (0.36) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL17916791 0.80 SMN1; SMN2 (0.35) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL15508307 0.80 HTT (0.36) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL20120111 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL12786457 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL12831243 0.78 SMN1; SMN2 (0.39) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL6265077 0.77 CYP19A1 (0.42) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL18721564 0.77 AKT1 (0.48) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL27540011 0.77 AKT1 (0.48) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A

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
CN-101027347-B Preparation method of composition and nano-scale composite material obtained by preparation method 3M INNOVATIVE PROPERTIES CO 2012-06-06 CN claimed
CN-101027347-B Preparation method of composition and nano-scale composite material obtained by preparation method 3M INNOVATIVE PROPERTIES CO 2012-06-06 CN disclosed