SCHEMBL22874285

SCHEMBL22874285

SCCc1ccc(-c2nc(-c3ccc(CCS)cc3)nc(-c3ccc(CCS)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
GFER P55789 1/20 0.35
ADRB2 P07550 1/20 0.34
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NFKB1 P19838 1/20 0.33
S1PR1 P21453 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL6854054 0.80 ADRB2 (0.59) HRH3ADRB2RAB9AALDH1A1MAPT
SCHEMBL17756343 0.80 IDO1 (0.46) HRH3ADRB2RAB9AALDH1A1MAPT
SCHEMBL24372546 0.80 L3MBTL1 (0.44) RAB9AALDH1A1MAPTNPC1MEN1
SCHEMBL332100 0.79 GFER (0.42) HRH3GFERALDH1A1L3MBTL1KDM4E
SCHEMBL24372725 0.77 MAOB (0.44) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL7650509 0.76 GFER (0.59) HRH3GFERALDH1A1HSD17B10CYP19A1
SCHEMBL21887379 0.76 NISCH (0.47) GFERRAB9AALDH1A1MAPTNPC1
SCHEMBL28033539 0.76 TDP1 (0.48) HRH3GFERADRB2RAB9AALDH1A1
SCHEMBL1129624 0.74 CYP17A1 (0.52) HRH3RAB9AALDH1A1MAPTNPC1
SCHEMBL6267935 0.73 FFAR1 (0.54) HRH3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008872-A1 COMPOSITION FOR ELECTRONIC DEVICES, INK FOR ELECTRONIC DEVICES, AND METHOD FOR PRODUCING ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-01-14 US disclosed