SCHEMBL28496709

SCHEMBL28496709

CSc1nccc([C]=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
PARP1 P09874 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL5212760 0.83 ACACB (0.50) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL3805723 0.80 MAPK14 (0.45) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL2964048 0.80 KDM4E (0.42) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL5211607 0.76 ACACB (0.42) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL3905049 0.72 MAPK14 (0.40) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL5432856 0.72 ACACB (0.48) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL29987888 0.72
SCHEMBL148439 0.72
SCHEMBL1644275 0.71 MAPK14 (0.42) ACACBLMNAALDH1A1GAAKMT2A
SCHEMBL3110744 0.71 ACACB (0.53) ACACBLMNAALDH1A1GAAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279888-A Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-29 CN claimed
CN-112209991-A Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-12 CN claimed
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 CN disclosed
CN-112209991-B Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-08-12 CN disclosed
CN-112279888-A Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-29 CN disclosed
CN-112209991-A Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-12 CN disclosed