SCHEMBL7474476

SCHEMBL7474476

COc1cccc2c1C(=O)N(C(=O)C1(C(=O)OC(C)(C)C)Cc3cc(N)sc3CO1)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.32
HTR2C P28335 1/20 0.31
POLB P06746 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 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
SCHEMBL7471265 0.86 ACHE (0.31) POLBBRD4CREBBP
SCHEMBL7464864 0.85 KDM4E (0.34) BRD4CREBBP
SCHEMBL7472554 0.75 L3MBTL1 (0.32)
SCHEMBL5837610 0.68 MAPT (0.33) HTR2C
SCHEMBL7468914 0.66 ALDH1A1 (0.30)
SCHEMBL7476167 0.66 ALDH1A1 (0.30)
SCHEMBL7473201 0.65 AKT1 (0.30)
SCHEMBL7466109 0.61
SCHEMBL31313335 0.60 KDM1A (0.38) PDE4DHTR2C
SCHEMBL5998722 0.60 MAPK1 (0.42) HTR2CPOLB

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