SCHEMBL28812394

SCHEMBL28812394

CC(C)(C)c1ccc(C2(C)N=CC=N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ KIF11 P52732 3/20 0.39
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL424728 0.69 TSHR (0.73) TSHRLMNATYRKIF11RAB9A
SCHEMBL12024951 0.64 KCNH2 (0.44) TSHRLMNATYRKIF11RAB9A
SCHEMBL15370170 0.64 KIF11 (0.42) TSHRLMNATYRKIF11RAB9A
SCHEMBL2680996 0.64 TSHR (0.39) TSHRLMNATYRKIF11RAB9A
SCHEMBL20959828 0.64 TSHR (0.39) TSHRLMNATYRKIF11RAB9A
SCHEMBL24199119 0.64 TSHR (0.44) TSHRLMNATYRKIF11RAB9A
SCHEMBL33319 0.63 RAB9A (0.73) TSHRLMNATYRKIF11RAB9A
SCHEMBL18253208 0.62 MAPT (0.51) TSHRLMNATYRALDH1A1MAPT
SCHEMBL18884520 0.62 TSHR (0.42) TSHRLMNATYRRAB9ANPC1
SCHEMBL22629732 0.62 TSHR (0.42) TSHRLMNATYRKIF11RAB9A

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-114907268-B Method for synthesizing 2H-imidazole compound from aryl methyl ketone compound and ammonium acetate 湖南第一师范学院 2023-11-17 — — CN disclosed
CN-114907268-A Method for synthesizing 2H-imidazole compound from aryl methyl ketone compound and ammonium acetate 湖南第一师范学院 2022-08-16 — — CN disclosed
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