SCHEMBL12199658

SCHEMBL12199658

c1ccc(Nc2ccc3c(c2)Sc2cc(Nc4ccccc4)ccc2N3c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.46
GNB1 P62873 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 5/20 0.43
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
ALOX12 P18054 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2B P41595 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL22180471 0.95 HDAC6 (0.44) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL15763367 0.88 HDAC6 (0.42) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL23954427 0.83 SNCA (0.50) GNG2GNB1HSP90AA1MEN1KMT2A
SCHEMBL31088424 0.83 HDAC6 (0.54) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL23765023 0.81 GNG2 (0.53) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL12199657 0.77 GNG2 (0.49) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL18560655 0.76 PGR (0.32) GNG2GNB1KMT2APGRNOX1
SCHEMBL22180466 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTAR
SCHEMBL17949530 0.74 ALDH1A1 (0.43) GNG2GNB1HSP90AA1ALDH1A1MEN1
SCHEMBL12433671 0.74 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHSD17B10

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-2371878-B1 POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2017-03-01 EP disclosed
US-20110240975-A1 POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-06 US disclosed
US-20110240975-A1 POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-06 US disclosed