SCHEMBL2545002

SCHEMBL2545002

FC(F)(F)c1ccc(-n2cnnc2S)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 2/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B2 P19099 1/20 0.35
KIF11 P52732 2/20 0.35
P2RX7 Q99572 1/20 0.34
HPGD P15428 1/20 0.34
EGFR P00533 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SCN5A Q14524 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PTGS2 P35354 2/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL14204081 0.86 MAPK9 (0.32) ALDH1A1
SCHEMBL3380396 0.79 MAPK9 (0.38)
SCHEMBL8845189 0.78 TDP1 (0.45) TDP1NOTUMMAPTRAB9ACTDSP1
SCHEMBL14112937 0.77 MAPK1 (0.43) TDP1NOTUMMAPTRAB9A
SCHEMBL1151405 0.76 MAPK1 (0.41) NOTUMMAPTL3MBTL1ALDH1A1
SCHEMBL11611231 0.76 JAK2 (0.38) NOTUMMAPTL3MBTL1P2RX7ALDH1A1
SCHEMBL9895153 0.75 MAPK1 (0.41) NOTUMMAPTL3MBTL1ALDH1A1
SCHEMBL14204102 0.73 TUBB4A (0.49) TDP1MAPTL3MBTL1CYP11B2HSP90AA1
SCHEMBL26964238 0.70 ALOX15B (0.49) TDP1NOTUMMAPTL3MBTL1CYP11B2
SCHEMBL8389202 0.70 OPRD1 (0.54) TDP1RAB9AKIF11HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011122815-A2 NOVEL QUINOXALINE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2011-10-06 WO disclosed
US-7358038-B2 Black and white photothermographic material and image forming method FUJIFILM CORPORATION (JP) 2008-04-15 US disclosed
US-7358038-B2 Black and white photothermographic material and image forming method FUJIFILM CORPORATION (JP) 2008-04-15 US disclosed
US-7303864-B2 Black and white photothermographic material and image forming method FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-7303864-B2 Black and white photothermographic material and image forming method FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-20070224554-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-20070224554-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed