SCHEMBL630190

SCHEMBL630190

O=C(N[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.53
ITGB1 P05556 2/20 0.51
ITGA5 P08648 2/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
KCNQ1 P51787 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1380441 1.00 FKBP1A (0.53) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL630470 0.86 MEN1 (0.48) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL5183379 0.85 USP2 (0.53) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL630070 0.82 FKBP1A (0.56) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL1384306 0.82 FKBP1A (0.56) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL8268070 0.79 ITGB1 (0.65) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL1379870 0.79 ITGB1 (0.65) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL629765 0.79 ITGB1 (0.65) FKBP1AITGB1ITGA5MAPTLMNA
SCHEMBL1383786 0.79 FKBP1A (0.53) FKBP1AITGB1ITGA5LMNAMAPK1
SCHEMBL630215 0.79 FKBP1A (0.53) FKBP1AITGB1ITGA5LMNAMAPK1

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