SCHEMBL631739

SCHEMBL631739

Cc1ccccc1C[C@@H](N)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
PKM P14618 1/20 0.54
FKBP1A P62942 4/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL8268319 0.88 TDP1 (0.54) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL13206975 0.88 TDP1 (0.54) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL630786 0.85 TDP1 (0.46) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL1384829 0.82 KMT2A (0.50) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL1383977 0.82 KMT2A (0.50) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL1381494 0.81 FKBP1A (0.55) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL630237 0.81 ITGB1 (0.63) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL1383454 0.81 ITGB1 (0.63) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL27405503 0.77 MMP2 (0.63) TDP1PKMFKBP1AALDH1A1LMNA
SCHEMBL21281608 0.77 MMP2 (0.63) TDP1PKMFKBP1AALDH1A1LMNA

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed