SCHEMBL631775

SCHEMBL631775

N[C@H](Cc1c[nH]c2ccccc12)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 2/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
DPP4 P27487 1/20 0.43
KRAS P01116 1/20 0.43
SOS1 Q07889 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL631494 0.90 F2 (0.48) LMNAKMT2AMEN1PKMMAPT
SCHEMBL630182 0.86 LMNA (0.44) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL630918 0.86 FKBP1A (0.45) LMNAKMT2AMEN1MAPTITGB2
SCHEMBL1384829 0.86 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL1383977 0.86 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL630602 0.85 SNCA (0.40) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL630786 0.83 TDP1 (0.46) LMNAALDH1A1PKM
SCHEMBL630767 0.81 ITGB1 (0.46) LMNAALDH1A1PKMMAPT
SCHEMBL631469 0.80 ALDH1A1 (0.44) LMNAALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL631343 0.79 PKM (0.43) LMNAALDH1A1PKMMAPTSMN1; 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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed