SCHEMBL8273635

SCHEMBL8273635

Cn1c(Cc2ccccc2)cnc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2N)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 3/20 0.37
▸ SKP1 P63208 3/20 0.37
▸ SKP2 Q13309 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CHRM4 P08173 4/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RPS6KB1 P23443 3/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ RORC P51449 1/20 0.33

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
SCHEMBL8215167 0.90 CHRM4 (0.47) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8273633 0.88 CKS1B (0.41) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8273638 0.86 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8273640 0.86 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8273332 0.83 ADAM17 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8273636 0.82 ALDH1A1 (0.39) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8275481 0.81 PIK3CB (0.43) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8275485 0.80 CKS1B (0.39) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8276134 0.79 ADAM17 (0.37) CKS1BSKP1SKP2ALDH1A1KDM4E
SCHEMBL8273643 0.79 ALDH1A1 (0.38) CKS1BSKP1SKP2ALDH1A1KDM4E

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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