SCHEMBL30189495

SCHEMBL30189495

CC(C)c1cc(C(c2ccccc2)c2ccc(N)c(C(C)C)c2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33

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
SCHEMBL29278565 1.00 HIF1A (0.38) HIF1ALMNAADRA2AADRA2CKDM4E
SCHEMBL14878837 0.81 DPP4 (0.37) KDM4EALDH1A1DPP4F2SLC6A2
SCHEMBL3689051 0.81 ADRA2A (0.41) HIF1ALMNAADRA2AADRA2CKDM4E
SCHEMBL28523547 0.81 ADRA2A (0.41) HIF1ALMNAADRA2AADRA2CKDM4E
SCHEMBL13013180 0.80 CA1 (0.42) HIF1ALMNAADRA2AADRA2CKDM4E
SCHEMBL2199068 0.80 ALDH1A1 (0.54) HIF1ALMNAKDM4EALDH1A1GAA
SCHEMBL2170424 0.78 GAA (0.42) HIF1ALMNAKDM4EALDH1A1GAA
Bromide SCHEMBL28948703 0.78 ALDH1A1 (0.52) HIF1ALMNAKDM4EALDH1A1GAA
SCHEMBL27863572 0.78 SLC6A2 (0.43) ALDH1A1DPP4F2SLC6A2SLC6A4
SCHEMBL14878839 0.78 NPC1 (0.41) HIF1ALMNAKDM4EALDH1A1GAA

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
CN-115636965-A High-transmittance polyisophthaloyl metaphenylene diamine film and preparation method thereof 烟台泰和新材高分子新材料研究院有限公司 2023-01-24 CN claimed
CN-115636965-A High-transmittance polyisophthaloyl metaphenylene diamine film and preparation method thereof 烟台泰和新材高分子新材料研究院有限公司 2023-01-24 CN disclosed