SCHEMBL7471265

SCHEMBL7471265

CC(C)(C)OC(=O)C1(C(=O)N2Cc3cccc([N+](=O)[O-])c3C2=O)Cc2cc(N)sc2CO1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7474476 0.86 PDE4D (0.32) BRD4CREBBPPOLB
SCHEMBL7464864 0.83 KDM4E (0.34) BRD4CREBBPSMN1; SMN2
SCHEMBL7473472 0.83 GABRA1 (0.35)
SCHEMBL29814606 0.73 TAS1R3 (0.40) ACHEHPGDMEN1KMT2A
SCHEMBL31303339 0.73 TAS1R3 (0.40) ACHEHPGDMEN1KMT2A
SCHEMBL7563099 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL5838665 0.69 ADORA1 (0.33)
SCHEMBL7479571 0.67 STING1 (0.30)
SCHEMBL5838706 0.67 CXCR2 (0.42)
SCHEMBL7476167 0.64 ALDH1A1 (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