SCHEMBL7953700

SCHEMBL7953700

O=C(O)C1CCCCN1C(=O)c1cncs1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PIK3CD O00329 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
GRM5 P41594 5/20 0.43
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7946464 0.82 FKBP1A (0.50) ALDH1A1PIK3CDPKMGRM5TSHR
SCHEMBL7953687 0.77 PIK3CD (0.46) ALDH1A1PIK3CDHSP90AA1MAPTPKM
SCHEMBL22055016 0.77 PIK3CD (0.51) ALDH1A1PIK3CDHSP90AA1MAPTPKM
SCHEMBL4504302 0.74 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTGRM5
SCHEMBL7960313 0.74 TDP1 (0.61) ALDH1A1TDP1L3MBTL1CA2
SCHEMBL14887797 0.73 ALDH1A1 (0.53) ALDH1A1PIK3CDHSP90AA1MAPTPKM
SCHEMBL7955425 0.73 TDP1 (0.45) ALDH1A1TDP1L3MBTL1GRM5CA2
SCHEMBL7592715 0.72 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1CA2
SCHEMBL6794087 0.72 L3MBTL1 (0.64) ALDH1A1TDP1L3MBTL1CA2SMN1; SMN2
SCHEMBL6794093 0.72 L3MBTL1 (0.64) ALDH1A1TDP1L3MBTL1CA2SMN1; SMN2

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed