SCHEMBL25520949

SCHEMBL25520949

CNc1ccccc1/C=C/c1c(C)sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.36
IDO1 P14902 2/20 0.33
GPR3 P46089 1/20 0.33
TDO2 P48775 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FTO Q9C0B1 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACLY P53396 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NFE2L2 Q16236 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL25673359 0.82 IDO1 (0.38) IDO1TDO2CYP1A2CYP2D6ALDH1A1
SCHEMBL25520554 0.79 TUBB4A (0.48) LIMK1IDO1GPR3TDO2TSHR
SCHEMBL25520959 0.79 GPR3 (0.35) LIMK1IDO1GPR3TDO2CYP1A2
SCHEMBL21895264 0.74 GPR3 (0.43) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL19266766 0.70 GPR3 (0.39) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL14139942 0.70 GPR3 (0.39) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL19255750 0.69 GPR3 (0.38) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL20941925 0.69 GPR3 (0.44) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL1093585 0.69 GPR3 (0.44) GPR3CYP1A2CYP2D6TSHRNFKB1
SCHEMBL5690556 0.68 NFE2L2 (0.46) CYP1A2NFE2L2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172044-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172045-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed