SCHEMBL2232268

SCHEMBL2232268

c1ccc(-c2ccccc2-c2csc(-c3ccsc3-c3cccs3)c2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PTGS2 P35354 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
BCAT2 O15382 1/20 0.32
PTPRC P08575 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL16872440 0.87 ALOX5 (0.41) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL16321041 0.84 ALOX5 (0.39) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL19742067 0.82 KDM4E (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2ADORA2A
SCHEMBL1487708 0.80 PTGS2 (0.45) ALOX5KDM4EALDH1A1PTGS2ADORA2A
Benzene SCHEMBL27761468 0.80 PTGS2 (0.47) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL7802382 0.80 PTGS2 (0.47) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL28641765 0.77 PTGS2 (0.46) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL21295467 0.77 PTGS2 (0.49) ALOX5KDM4EALDH1A1PTGS2ADORA2A
SCHEMBL1487707 0.76 ALOX5 (0.39) ALOX5KDM4EALDH1A1ADORA2AADORA1
SCHEMBL28399939 0.76 ALOX5 (0.42) ALOX5KDM4EALDH1A1ADORA2AADORA1

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