SCHEMBL8275485

SCHEMBL8275485

Cn1cc(-c2ccccc2)nc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 9/20 0.39
▸ SKP1 P63208 9/20 0.39
▸ SKP2 Q13309 9/20 0.39
▸ BCHE P06276 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ VCP P55072 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8215269 0.89 CHRM4 (0.46) CKS1BSKP1SKP2BCHECHRM4
SCHEMBL8273643 0.88 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8273633 0.84 CKS1B (0.41) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8275481 0.83 PIK3CB (0.43) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8273636 0.80 ALDH1A1 (0.39) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8273635 0.80 CKS1B (0.37) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8273638 0.80 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8273640 0.79 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8276134 0.79 ADAM17 (0.37) CKS1BSKP1SKP2ALDH1A1HPGD
SCHEMBL8222101 0.77 CHRM4 (0.44) ALDH1A1HPGDKDM4ETSHRHSD17B10

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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