SCHEMBL22756256

SCHEMBL22756256

C1=CCC=CC(c2nc3ccccc3s2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.45
NPC1 O15118 10/20 0.45
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APP P05067 3/20 0.44
GLA P06280 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL827403 0.73 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12687384 0.72 NPC1 (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24691209 0.72 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12687385 0.69 CHRM2 (0.47) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7808016 0.69 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8066255 0.69 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9533462 0.69 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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
EP-3266788-B1 METAL COMPLEX AND MANUFACTURING METHOD AND USAGE, DISPLAY DEVICE THEREOF BOE TECHNOLOGY GROUP CO LTD (CN) 2020-12-09 EP disclosed