SCHEMBL28633271

SCHEMBL28633271

O=C(O)c1ccc(OC(=O)c2ccccc2)cc1.[Cr]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.70
KMT2A Q03164 8/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PKM P14618 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
RAB9A P51151 1/20 0.57
DAO P14920 1/20 0.56
TSHR P16473 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
SRD5A2 P31213 2/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ELANE P08246 1/20 0.53
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
TMPRSS15 P98073 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL622771 0.98 PARP10 (0.72) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL27867349 0.96 PARP10 (0.70) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL28630979 0.96 PARP10 (0.70) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL28632799 0.96 PARP10 (0.70) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL9360155 0.96 PARP10 (0.70) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL23202513 0.92 PARP10 (0.66) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL9696360 0.92 PARP10 (0.66) PARP10KMT2AMEN1MAPTTDP1
Terephthalic Acid SCHEMBL28437942 0.92 PARP10 (0.63) PARP10KMT2AMEN1MAPTTDP1
Benzoic Acid SCHEMBL28346471 0.92 PARP10 (0.63) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL817796 0.92 PARP10 (0.63) PARP10KMT2AMEN1MAPTTDP1

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-113214223-B Preparation method of Voranolan fumarate impurity 南京海纳医药科技股份有限公司 2022-04-05 CN disclosed
CN-113214223-A Preparation method of Voranolan fumarate impurity 南京海纳医药科技股份有限公司 2021-08-06 CN disclosed