SCHEMBL24609172

SCHEMBL24609172

C/C=c1\c(=C/NC)sc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ LIMK1 P53667 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 4/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL19658375 0.83 GPR3 (0.46) GPR3LIMK1LMNAKDM4ECASP1
SCHEMBL25634912 0.80 GPR3 (0.36) GPR3LIMK1LMNAKDM4ECASP1
SCHEMBL18560415 0.77 GPR3 (0.40) GPR3LMNAKDM4ECASP1ALDH1A1
SCHEMBL23032772 0.75 GPR3 (0.38) GPR3LMNAKDM4ECASP1ALDH1A1
SCHEMBL23544032 0.73 GPR3 (0.36) GPR3LMNAKDM4ECASP1ALDH1A1
SCHEMBL17950785 0.72 GPR3 (0.39) GPR3LMNAKDM4ECASP1ALDH1A1
SCHEMBL20663041 0.72 GPR3 (0.35) GPR3LMNAKDM4ECASP1ALDH1A1
SCHEMBL25521647 0.71 GPR3 (0.34) GPR3LIMK1KDM4EALDH1A1MAPT
SCHEMBL24078454 0.71 GPR3 (0.44) GPR3LIMK1LMNAKDM4ECASP1
SCHEMBL18881048 0.70 ALDH1A1 (0.41) GPR3LMNAKDM4ECASP1ALDH1A1

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
WO-2022146012-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2022-07-07 — — WO disclosed
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