SCHEMBL28845837

SCHEMBL28845837

COc1ccc(Oc2ccc(OC(N)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.66
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
PARP4 Q9UKK3 2/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
LTA4H P09960 2/20 0.54
ELANE P08246 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PRSS1 P07477 2/20 0.47
ACR P10323 1/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL731242 0.94 CA1 (0.61) PARP10CA1CA2PARP4PARP1
SCHEMBL27596967 0.88 KIF11 (0.59) PARP10CA1CA2PARP4PARP1
SCHEMBL3964510 0.82 F3 (0.50) PARP10CA1CA2PARP4PARP1
SCHEMBL6284986 0.82 KMT2A (0.64) PARP10CA1CA2PARP4PARP1
SCHEMBL19828231 0.81 LMNA (0.59) PARP10CA1CA2LTA4HELANE
SCHEMBL5799799 0.81 PARP10 (0.64) PARP10CA1CA2PARP4LTA4H
SCHEMBL10016824 0.81 LMNA (0.59) PARP10CA1CA2LTA4HELANE
SCHEMBL6628270 0.81 PARP10 (0.53) PARP10CA1CA2PARP4PARP1
SCHEMBL5836337 0.79 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
SCHEMBL28304654 0.78 L3MBTL1 (0.62) KMT2AALDH1A1MEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106794705-B For thermal recording media novel developer and use its hot composition medium 高性能化学品公司 2018-09-28 CN disclosed
CN-106794705-A Novel developer for thermal recording medium and thermal composition medium using the same 小·R·Q·鲁费尔 2017-05-31 CN disclosed