SCHEMBL29178307

SCHEMBL29178307

CNC(=O)[C@H](CCCc1cccnc1)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
TBXAS1 P24557 7/20 0.45
PTAFR P25105 4/20 0.45
CYP2A6 P11509 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 2/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29178311 1.00 CHRNA7 (0.46) CHRNA7TBXAS1PTAFRCYP2A6RECQL
SCHEMBL29178416 0.85 MMP2 (0.39) HRH1KMT2A
SCHEMBL29178413 0.85 MMP2 (0.39) HRH1KMT2A
SCHEMBL29117246 0.85 MMP3 (0.48) KMT2A
SCHEMBL29117249 0.85 MMP3 (0.48) KMT2A
SCHEMBL29178466 0.84 CHRNA7 (0.45) CHRNA7TBXAS1PTAFRTDP1L3MBTL1
SCHEMBL24814131 0.81 TBXAS1 (0.50) CHRNA7TBXAS1PTAFRCYP2A6RECQL
SCHEMBL29178370 0.79 CALM1 (0.39) TBXAS1
SCHEMBL29178372 0.79 CALM1 (0.39) TBXAS1
SCHEMBL29178353 0.77 LMNA (0.42) TDP1HRH1

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-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed