SCHEMBL5229415

SCHEMBL5229415

Cc1nc(C(=O)N(CS(=O)(=O)O)c2ccc(Cl)cn2)c(C(=O)Nc2ccc(N3CCOC3=N)cc2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
LMNA P02545 6/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 3/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
UBE2N P61088 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
F10 P00742 3/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5229206 0.87 F2 (0.39) ALDH1A1LMNANPC1RAB9AHTT
SCHEMBL5236615 0.84 F10 (0.37) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL5237059 0.83 MAPT (0.37) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL4884938 0.83 F10 (0.42) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL8256288 0.81 F10 (0.44) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL8258622 0.81 F10 (0.44) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL5242014 0.81 NPC1 (0.35) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL4886660 0.78 ROCK2 (0.30)
SCHEMBL5231707 0.76 SIRT2 (0.34) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL4634074 0.76 GCGR (0.38) ALDH1A1MAPTNPC1RAB9AF10

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-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed