SCHEMBL8274681

SCHEMBL8274681

Nc1cc(F)ccc1N1CCC(CNC(=S)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 6/20 0.38
▸ ADAM17 P78536 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDE6D O43924 1/20 0.34
▸ HRAS P01112 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ POLB P06746 2/20 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
SCHEMBL8273310 0.90 GAA (0.44) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8273592 0.90 HTT (0.46) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8273591 0.89 ADAM17 (0.43) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8220351 0.87 CHRM4 (0.46) ADAM17DPP4RPS6KB1KMT2ACTSS
SCHEMBL8273374 0.84 ALDH1A1 (0.40) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8273579 0.82 CTSS (0.41) GAAALDH1A1HTTKDM4EADAM17
SCHEMBL8273588 0.82 ADAM17 (0.40) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8273376 0.82 ALDH1A1 (0.40) GAAALDH1A1HTTL3MBTL1KDM4E
SCHEMBL8274407 0.80 ADAM17 (0.43) GAAALDH1A1HTTL3MBTL1ADAM17
SCHEMBL8276118 0.80 ADAM17 (0.43) GAAALDH1A1HTTL3MBTL1ADAM17

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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