SCHEMBL29212596

SCHEMBL29212596

CC(c1ccc2ccccc2c1)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.58
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.46
ALPL P05186 1/20 0.46
UGT2B7 P16662 1/20 0.45
KDR P35968 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 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
SCHEMBL29212574 0.85 KDM4E (0.51) MLKLLMNAKDM4EHSD17B10ADRA2A
SCHEMBL29212585 0.83 KDM4E (0.56) MLKLLMNAKDM4EHSD17B10ADRA2A
SCHEMBL16756243 0.82 ALPL (0.58) MLKLKDM4EHSD17B10IDO1ALDH1A1
SCHEMBL3397595 0.82 ALPL (0.58) MLKLKDM4EHSD17B10IDO1ALDH1A1
SCHEMBL16756501 0.82 ALPL (0.58) MLKLKDM4EHSD17B10IDO1ALDH1A1
SCHEMBL2147079 0.82 ALDH1A1 (0.66) MLKLKDM4EHSD17B10IDO1ALDH1A1
SCHEMBL14770674 0.81 SMN1; SMN2 (0.56) MLKLKDM4EIDO1ALDH1A1POLB
SCHEMBL85832 0.78 ALDH1A1 (0.66) MLKLLMNAKDM4EHSD17B10IDO1
SCHEMBL30665026 0.78 ALDH1A1 (0.66) MLKLLMNAKDM4EHSD17B10IDO1
SCHEMBL29212608 0.77 ALDH1A1 (0.51) MLKLLMNAKDM4EHSD17B10IDO1

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-118002982-A Organic solderability preservative and preparation method and application thereof 广东省科学院化工研究所 2024-05-10 CN claimed
CN-118002982-A Organic solderability preservative and preparation method and application thereof 广东省科学院化工研究所 2024-05-10 CN disclosed