SCHEMBL630237

SCHEMBL630237

CC(=O)Nc1ccc(C[C@@H](N)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.63
ITGA5 P08648 2/20 0.63
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FKBP1A P62942 4/20 0.52
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
ITGA4 P13612 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL1383454 1.00 ITGB1 (0.63) ITGB1ITGA5LMNAMEN1KMT2A
SCHEMBL630266 0.86 ITGB1 (0.49) ITGB1ITGA5LMNAMEN1KMT2A
SCHEMBL7069030 0.82 ITGB1 (0.74) ITGB1ITGA5MEN1KMT2AALDH1A1
SCHEMBL631739 0.81 TDP1 (0.56) ITGB1ITGA5LMNAALDH1A1MAPK1
SCHEMBL6709558 0.79 ITGB1 (0.69) ITGB1ITGA5MEN1KMT2AALDH1A1
SCHEMBL1381494 0.78 FKBP1A (0.55) ITGB1ITGA5LMNAALDH1A1MAPK1
SCHEMBL8268070 0.77 ITGB1 (0.65) ITGB1ITGA5LMNAALDH1A1MAPK1
SCHEMBL1379870 0.77 ITGB1 (0.65) ITGB1ITGA5LMNAALDH1A1MAPK1
SCHEMBL629765 0.77 ITGB1 (0.65) ITGB1ITGA5LMNAALDH1A1MAPK1
SCHEMBL18339181 0.77 ITGB1 (1.00) ITGB1ITGA5LMNAMMP2MMP9

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