SCHEMBL8273633

SCHEMBL8273633

Cn1c(-c2ccccc2)cnc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 13/20 0.41
▸ SKP1 P63208 13/20 0.41
▸ SKP2 Q13309 13/20 0.41
▸ NPC1 O15118 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL8215295 0.89 CHRM4 (0.45) CKS1BSKP1SKP2
SCHEMBL8273638 0.88 ALDH1A1 (0.38) CKS1BSKP1SKP2NPC1MAPK1
SCHEMBL8273635 0.88 CKS1B (0.37) CKS1BSKP1SKP2TSHRALDH1A1
SCHEMBL8273640 0.87 ALDH1A1 (0.38) CKS1BSKP1SKP2NPC1MAPK1
SCHEMBL8275485 0.84 CKS1B (0.39) CKS1BSKP1SKP2RAB9ASMN1; SMN2
SCHEMBL8273636 0.84 ALDH1A1 (0.39) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL8275481 0.83 PIK3CB (0.43) CKS1BSKP1SKP2SMN1; SMN2TSHR
SCHEMBL8276134 0.80 ADAM17 (0.37) CKS1BSKP1SKP2TSHRALDH1A1
SCHEMBL8273643 0.80 ALDH1A1 (0.38) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL8275791 0.80 KDM4E (0.34) CKS1BSKP1SKP2NPC1RAB9A

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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