SCHEMBL27978941

SCHEMBL27978941

Nc1c(N)c2c(-c3ccccc3)cccc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ LIMK1 P53667 4/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL4798872 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
Benzene SCHEMBL29177892 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL5887704 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL27521144 0.82 HSD17B10 (0.43) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL28493666 0.81 MAPT (0.38) KDRCRHBPCRHR2KEAP1NFE2L2
Biphenyl SCHEMBL29177817 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL30140861 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL28150568 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL25421508 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL26087273 0.75 ALDH1A1 (0.48) ALDH1A1HSD17B10LIMK1CLK4MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480993-B Fluorescent and phosphorescent emission material and preparation method thereof 华东理工大学 2023-03-14 — — CN claimed
CN-113072800-B Preparation method of stretchable fluorescent photochromic material 华东理工大学 2022-03-29 — — CN claimed
CN-113480993-A Fluorescent and phosphorescent emission material and preparation method thereof 华东理工大学 2021-10-08 — — CN claimed
CN-113072800-A Preparation method of stretchable fluorescent photochromic material 华东理工大学 2021-07-06 — — CN claimed
CN-113480993-B Fluorescent and phosphorescent emission material and preparation method thereof 华东理工大学 2023-03-14 — — CN disclosed
CN-113072800-B Preparation method of stretchable fluorescent photochromic material 华东理工大学 2022-03-29 — — CN disclosed
CN-113480993-A Fluorescent and phosphorescent emission material and preparation method thereof 华东理工大学 2021-10-08 — — CN disclosed
CN-113072800-A Preparation method of stretchable fluorescent photochromic material 华东理工大学 2021-07-06 — — CN disclosed
CN-102491950-B Quinoxaline derivative and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-20 — — CN disclosed
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