SCHEMBL25520959

SCHEMBL25520959

Cc1sc2ccccc2c1/C=C/c1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NFE2L2 Q16236 1/20 0.33
IDO1 P14902 2/20 0.32
ROCK1 Q13464 1/20 0.32
TDO2 P48775 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL21895264 0.76 GPR3 (0.43) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL19266766 0.72 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL14139942 0.72 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL19255750 0.71 GPR3 (0.38) GPR3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL20941925 0.71 GPR3 (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL1093585 0.71 GPR3 (0.44) GPR3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL65321 0.71 CYP3A4 (0.53) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3765477 0.71 CYP3A4 (0.53) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL38340 0.71 CYP3A4 (0.53) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4620959 0.69 CYP3A4 (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172045-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172043-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230171980-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed