SCHEMBL7464864

SCHEMBL7464864

CC(C)(C)OC(=O)C1(C(=O)N2Cc3ccccc3C2=O)Cc2cc(N)sc2CO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 0.30

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
SCHEMBL7473472 0.86 GABRA1 (0.35)
SCHEMBL7474476 0.85 PDE4D (0.32) BRD4CREBBP
SCHEMBL7471265 0.83 ACHE (0.31) SMN1; SMN2BRD4CREBBP
SCHEMBL7472554 0.75 L3MBTL1 (0.32)
SCHEMBL7479571 0.75 STING1 (0.30)
SCHEMBL7468914 0.69 ALDH1A1 (0.30)
SCHEMBL7476167 0.69 ALDH1A1 (0.30)
SCHEMBL23771943 0.68 KDM4E (0.51) KDM4EHTTSMN1; SMN2PIK3CAMTOR
SCHEMBL29814717 0.68 KDM4E (0.51) KDM4EHTTSMN1; SMN2PIK3CAMTOR
SCHEMBL7473201 0.67 AKT1 (0.30)

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
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed