SCHEMBL630602

SCHEMBL630602

N[C@H](Cc1c[nH]c2ccccc12)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.40
SOS1 Q07889 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB2 P05107 3/20 0.38
ICAM1 P05362 3/20 0.38
ITGAL P20701 3/20 0.38
DPP4 P27487 1/20 0.38
KRAS P01116 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
CALCRL Q16602 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL1381877 0.88 ITGB2 (0.42) SNCASOS1ALDH1A1MAPTSMN1; SMN2
SCHEMBL631775 0.85 LMNA (0.47) SOS1ALDH1A1MAPTSMN1; SMN2ITGB2
SCHEMBL631494 0.83 F2 (0.48) SOS1MAPTSMN1; SMN2DPP4KRAS
SCHEMBL13206992 0.81 ITGB2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL630918 0.79 FKBP1A (0.45) SOS1MAPTITGB2ICAM1ITGAL
SCHEMBL630182 0.73 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2ITGB2ICAM1
SCHEMBL1384829 0.72 KMT2A (0.50) ALDH1A1MAPTSMN1; SMN2ITGB2ICAM1
SCHEMBL1383977 0.72 KMT2A (0.50) ALDH1A1MAPTSMN1; SMN2ITGB2ICAM1
SCHEMBL1385938 0.70 F2 (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1380411 0.70 F2 (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 claimed