SCHEMBL29944767

SCHEMBL29944767

O=C=C1CN(C(=O)OCc2ccccc2)CCC12CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TMEM97 Q5BJF2 8/20 0.46
SIGMAR1 Q99720 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL29944808 0.89 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23690786 0.84 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18320516 0.79 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27762585 0.76 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL934263 0.76 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5750431 0.75 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8326473 0.75 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31468162 0.75 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2592306 0.75 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14698416 0.75 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-115244055-B Pyrimidine five-membered ring derivative and application thereof 江苏先声药业有限公司 2024-09-03 CN disclosed
CN-115244055-A Pyrimido five-membered ring derivative and application thereof 江苏先声药业有限公司 2022-10-25 CN disclosed