SCHEMBL29834872

SCHEMBL29834872

CCCCCn1nc(C)cc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL18718150 0.95 SMN1; SMN2 (0.45) SMN1; SMN2CNR2CNR1KDM4EPOLB
SCHEMBL18718147 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EPOLBALDH1A1TDP1
SCHEMBL19451723 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EPOLBALDH1A1TDP1
SCHEMBL28820595 0.83 CNR1 (0.65) CNR2CNR1KDM4E
SCHEMBL4754841 0.83 KDM4E (0.50) CNR2CNR1KDM4EPOLBMAPT
SCHEMBL6188814 0.83 MAPT (0.52) SMN1; SMN2POLBALDH1A1TDP1RAB9A
SCHEMBL16270143 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CNR2CNR1KDM4EPOLB
SCHEMBL2519952 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EPOLBALDH1A1TDP1
SCHEMBL19617291 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EPOLBALDH1A1TDP1
SCHEMBL1566850 0.81 ALDH1A1 (0.44) SMN1; SMN2CNR2CNR1KDM4EPOLB

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-115052880-A Macrocyclic compounds 芝诺管理公司 2022-09-13 CN disclosed