SCHEMBL28295432

SCHEMBL28295432

Cc1cc(C=O)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.55
ALPG P10696 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.43
MPO P05164 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.41
PRNP P04156 1/20 0.41
JAK2 O60674 1/20 0.40
CYP3A4 P08684 1/20 0.40
JAK1 P23458 1/20 0.40
POLB P06746 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL28293385 0.84 POLB (0.55) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2514163 0.83 MAPK1 (0.56) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27362726 0.81 SMN1; SMN2 (0.39) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL14665755 0.81 GAA (0.57) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL18055499 0.80 MAPT (0.64) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL31522200 0.79 ALDH1A1 (0.58) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL31522201 0.79 ALDH1A1 (0.58) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL405007 0.78 ALDH1A1 (0.71) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL28293268 0.77 SMN1; SMN2 (0.43) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL18161149 0.75 GAA (0.58) GAAMAPTALDH1A1SMN1; SMN2LMNA

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-109651253-A Cinnamic acid ester derivant and its application as nerve protection medicine 上海医药工业研究院 2019-04-19 CN disclosed