SCHEMBL28295435

SCHEMBL28295435

Cc1cc(C=O)n(-c2ccc(CN)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL28293268 0.82 SMN1; SMN2 (0.43) POLBCYP1A2MAPK1CYP2C19LMNA
SCHEMBL28293385 0.80 POLB (0.55) POLBLMNAMAPTALDH1A1MEN1
SCHEMBL28872888 0.80 KCNJ6 (0.44) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL2514163 0.79 MAPK1 (0.56) CYP1A2MAPK1CYP2C19LMNAMAPT
SCHEMBL2288170 0.79 MAPT (0.53) POLBCYP1A2MAPTALDH1A1HPGD
SCHEMBL28872885 0.77 LMNA (0.60) POLBLMNAMAPTALDH1A1MEN1
Phosphine SCHEMBL28064259 0.77 PTGS2 (0.58) POLBLMNAALDH1A1PTGS2MAPK14
SCHEMBL18865881 0.76 POLB (0.44) POLBCYP1A2MAPK1CYP2C19LMNA
SCHEMBL27868556 0.76 GAA (0.56) POLBCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL27868554 0.75 MAPT (0.38) POLBCYP1A2MAPK1CYP2C19LMNA

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