SCHEMBL631494

SCHEMBL631494

N[C@H](Cc1c[nH]c2ccccc12)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 3/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP14 P50281 1/20 0.41
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 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
SCHEMBL631775 0.90 LMNA (0.47) KCNA5KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL1380411 0.87 F2 (0.51) F2KCNA5KCNH2MEN1KMT2A
SCHEMBL1385938 0.87 F2 (0.51) F2KCNA5KCNH2MEN1KMT2A
SCHEMBL630602 0.83 SNCA (0.40) KCNA5KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL630918 0.81 FKBP1A (0.45) MEN1KMT2AMAPTLMNADPP4
SCHEMBL630182 0.78 LMNA (0.44) KCNA5KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL1383977 0.77 KMT2A (0.50) MEN1KMT2ASMN1; SMN2MAPTUSP2
SCHEMBL1384829 0.77 KMT2A (0.50) MEN1KMT2ASMN1; SMN2MAPTUSP2
SCHEMBL630176 0.74 HDAC3 (0.45) F2SMN1; SMN2MAPTMMP2MMP9
SCHEMBL629890 0.72 HDAC2 (0.48) F2MEN1KMT2ASMN1; SMN2LMNA

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