SCHEMBL2232263

SCHEMBL2232263

c1ccc(-c2ccccc2-c2sc(-c3cccs3)c(-c3cccs3)c2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL2784589 0.83 KDM4E (0.42) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL16321040 0.81 KDM4E (0.40) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL4319170 0.79 MEN1 (0.47) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL30332910 0.76 ALOX5 (0.43) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL3084911 0.75 LTA4H (0.47) HPGDKDM4EMEN1KMT2AALDH1A1
Hydrogen Sulfide SCHEMBL27738387 0.74 ALOX5 (0.42) HPGDKDM4EMEN1KMT2AALDH1A1
Pyrrole SCHEMBL28809703 0.74 MEN1 (0.39) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL27510656 0.74 LTA4H (0.53) HPGDKDM4EMEN1KMT2AALDH1A1
Hydrogen Sulfide SCHEMBL27605763 0.74 LTA4H (0.46) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL1487707 0.73 ALOX5 (0.39) HPGDKDM4EMEN1KMT2AALDH1A1

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-2356709-A1 OPTOELECTRONIC DEVICES Cambridge Enterprise Ltd. (GB) 2011-08-17 EP disclosed
WO-2010064028-A1 OPTOELECTRONIC DEVICES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-06-10 WO disclosed