SCHEMBL6219804

SCHEMBL6219804

O=C(Nc1cccc2c1C(=O)N(CCC(=O)N1CCN(c3ccncc3)CC1)C2=O)C1=CC(Cl)=CCC1=S

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
ALDH1A1 P00352 10/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ESR1 P03372 1/20 0.38
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6667214 0.92 KMT2A (0.43) HSD17B10ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6218814 0.90 ACHE (0.39) HSD17B10ALDH1A1ACHE
SCHEMBL6246108 0.88 SMN1; SMN2 (0.51) HSD17B10ALDH1A1KDM4EKMT2APOLB
SCHEMBL6215019 0.88 KMT2A (0.42) HSD17B10ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6217886 0.86 ACHE (0.39) HSD17B10ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6697366 0.86 SMN1; SMN2 (0.47) HSD17B10ALDH1A1KDM4EKMT2APOLB
SCHEMBL6218216 0.85 ACHE (0.41) HSD17B10ALDH1A1ACHE
SCHEMBL6218961 0.84 SPHK1 (0.35) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL6215362 0.81 F10 (0.39) HSD17B10ALDH1A1MAPTKDM4EESR1
SCHEMBL6216970 0.81 IRAK4 (0.36) HSD17B10MAPTKDM4EESR1KMT2A

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