SCHEMBL6215554

SCHEMBL6215554

O=C(Nc1cccc2c1CN(CCC(=O)N1CCNCC1)C2=O)C1=CC(Cl)=CCC1=S

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
PLA2G1B P04054 1/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6221617 0.87 ALDH1A1 (0.36) TRPV4KMT2AALDH1A1HSD17B10
SCHEMBL6217886 0.85 ACHE (0.39) KMT2AALDH1A1GAAHPGDHSD17B10
SCHEMBL6214821 0.85 ITGB3 (0.40) F10
SCHEMBL4313283 0.79 F10 (0.53) F10KMT2AALDH1A1HPGD
SCHEMBL6216452 0.79 CHRM3 (0.42)
SCHEMBL6215362 0.78 F10 (0.39) F10KMT2AALDH1A1GAAHPGD
SCHEMBL5781421 0.78 F10 (0.42) F10KMT2AALDH1A1HPGDHSD17B10
SCHEMBL5777471 0.77 F10 (0.48) F10POLBKMT2AALDH1A1
SCHEMBL6215019 0.76 KMT2A (0.42) POLBKMT2AALDH1A1GAAHPGD
SCHEMBL5779074 0.76 F10 (0.45) F10KMT2AALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed