SCHEMBL630182

SCHEMBL630182

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GHSR Q92847 1/20 0.40

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
SCHEMBL630426 0.87 TDP1 (0.48) LMNAALDH1A1KCNA5KCNH2KMT2A
SCHEMBL631775 0.86 LMNA (0.47) LMNAALDH1A1KCNA5KCNH2KMT2A
SCHEMBL631494 0.78 F2 (0.48) LMNAKCNA5KCNH2KMT2AMEN1
SCHEMBL8268055 0.77 ITGB2 (0.51) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL630023 0.76 AKR1C3 (0.44) LMNAALDH1A1PKM
SCHEMBL631075 0.75 FKBP1A (0.43) LMNAPKM
SCHEMBL1383977 0.74 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL1384829 0.74 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL630918 0.73 FKBP1A (0.45) LMNAKMT2AMEN1ITGB2ICAM1
SCHEMBL13206955 0.73 ITGB2 (0.52) LMNAALDH1A1KMT2AMEN1PKM

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