SCHEMBL23634064

SCHEMBL23634064

Nc1ccc(SCCSc2ccc(N)nc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 1/20 0.52
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38

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
SCHEMBL609024 0.88 KDM4E (0.46) KDM4EHSD17B10NOS3NOS2GABRP
SCHEMBL19305864 0.86 KDM4E (0.49) KDM4EHSD17B10NOS3NOS2SMN1; SMN2
SCHEMBL18291235 0.83 SLC6A4 (0.47) KDM4EHSD17B10NOS3NOS2
SCHEMBL609195 0.83 KDM4E (0.53) KDM4EHSD17B10NOS3NOS2GABRP
SCHEMBL11498398 0.78 KDM4E (0.44) KDM4EHSD17B10NOS3NOS2GABRP
SCHEMBL29464960 0.77 SMN1; SMN2 (0.50) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL19970154 0.77 SMN1; SMN2 (0.50) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL838791 0.74
SCHEMBL20375038 0.74
SCHEMBL15600203 0.74

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-11061282-B2 Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element and polymer JSR CORPORATION (JP) 2021-07-13 US disclosed