SCHEMBL28787349

SCHEMBL28787349

CN(c1ccccc1C(=O)O)c1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 15/20 0.46
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL16140986 0.88 PIN1 (0.46) PIN1
SCHEMBL10098687 0.85 PIN1 (0.43) PIN1KDM4EMAPTTSHR
SCHEMBL29904737 0.77 PIN1 (0.44) PIN1KDM4EMAPT
SCHEMBL26907039 0.77 PIN1 (0.44) PIN1KDM4EMAPT
SCHEMBL21937971 0.76 PIN1 (0.39) PIN1KDM4EMAPT
SCHEMBL1917609 0.76 PIN1 (0.52) PIN1MAPT
SCHEMBL28662304 0.76 PIN1 (0.42) PIN1MAPT
SCHEMBL29152338 0.75 PIN1 (0.45) PIN1MAPT
SCHEMBL19436599 0.75 ALDH1A1 (0.40) PIN1KDM4EMAPT
SCHEMBL8297040 0.74 PIN1 (0.47) PIN1MAPT

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-116375713-A DCLK1 protein degradation targeting chimeric and application thereof 中国人民解放军海军军医大学 2023-07-04 CN disclosed
CN-114478539-A Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2022-05-13 CN disclosed