SCHEMBL28112451

SCHEMBL28112451

CCCCC(CCCC)Oc1ccc(C(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.57
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PARP4 Q9UKK3 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KMT2A Q03164 2/20 0.47
PARP15 Q460N3 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PARP14 Q460N5 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9058979 0.88 PARP10 (0.51) PARP10SMN1; SMN2NPC1RAB9APARP4
SCHEMBL27440211 0.83 PARP10 (0.65) PARP10PARP4CA1CA2PARP1
SCHEMBL9639855 0.83 TP53 (0.54) CA1CA2KMT2AMAPK1
SCHEMBL9732746 0.83 TAS1R3 (0.40) SMN1; SMN2KMT2AMAPK1
SCHEMBL10784950 0.81 TP53 (0.60) KMT2A
SCHEMBL9061850 0.80 PARP10 (0.53) PARP10SMN1; SMN2NPC1RAB9APARP4
SCHEMBL5915075 0.79 TP53 (0.62) KMT2A
SCHEMBL25788016 0.79 TP53 (0.62) KMT2A
SCHEMBL10514724 0.79 RARB (0.57) KMT2AALDH1A1HSD17B10MEN1
SCHEMBL27639615 0.79 ELANE (0.50) SMN1; SMN2RAB9AALDH1A1MAPK1

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-106278775-A The preparation method of a kind of arylamides and purification method thereof 温州大学 2017-01-04 CN disclosed