SCHEMBL30475752

SCHEMBL30475752

c1ccc2cc(-c3nc4ccccc4nc3-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
NQO2 P16083 1/20 0.52
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK10 P53779 2/20 0.50
GAA P10253 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
SRC P12931 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
GSTP1 P09211 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL28079530 0.94 ADORA2A (0.62) ADORA2AADORA1LMNAL3MBTL1KDM4E
SCHEMBL22186466 0.91 ESR1 (0.55) ADORA2AADORA1NQO2LMNAL3MBTL1
SCHEMBL24036920 0.89 CYP2A6 (0.50) ADORA2AADORA1NQO2LMNAL3MBTL1
SCHEMBL12223315 0.88 ADORA2A (0.58) ADORA2AADORA1KDM4EALDH1A1MAPK10
SCHEMBL13726396 0.87 MAPK10 (0.66) ADORA2AADORA1LMNAL3MBTL1KDM4E
SCHEMBL19169354 0.86 CYP1A2 (0.49) ADORA2AADORA1NQO2LMNAL3MBTL1
SCHEMBL29995528 0.86 KDM4E (0.63) ADORA2AADORA1NQO2LMNAL3MBTL1
SCHEMBL23625965 0.86 SRC (0.51) ADORA2AADORA1NQO2KDM4EALDH1A1
SCHEMBL19816496 0.86 KDM4E (0.63) ADORA2AADORA1NQO2LMNAL3MBTL1
SCHEMBL25841451 0.86 CYP17A1 (0.44) ADORA2AADORA1NQO2LMNAL3MBTL1

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-111240118-B Electrochromic device with three-electrode structure and preparation method thereof 浙江工业大学 2023-07-14 CN claimed
CN-111240118-B Electrochromic device with three-electrode structure and preparation method thereof 浙江工业大学 2023-07-14 CN disclosed