SCHEMBL28655804

SCHEMBL28655804

CC(C)(C)C(=O)n1ccc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.54
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TUBB1 Q9H4B7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NOTUM Q6P988 1/20 0.38
KMO O15229 2/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
CCR9 P51686 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR2 P41597 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ACLY P53396 2/20 0.36
KRAS P01116 1/20 0.36

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
SCHEMBL31517107 1.00 OXER1 (0.54) OXER1HTR2AHTR2CTUBB1NPC1
SCHEMBL30752391 0.87 OXER1 (0.54) OXER1NPC1RAB9ANOTUMKMO
SCHEMBL28400587 0.82 TFPI2 (0.48) OXER1HTR2AHTR2CTUBB1RXFP1
SCHEMBL31517159 0.82 TFPI2 (0.48) OXER1HTR2AHTR2CTUBB1RXFP1
SCHEMBL30885550 0.81 FABP4 (0.43) HTR2AHTR2CTUBB1NPC1RAB9A
SCHEMBL31517225 0.81 TUBB1 (0.38) OXER1TUBB1RAB9ANOTUMCYP11B1
SCHEMBL31517142 0.81 KCNH2 (0.47) OXER1TUBB1NOTUMCCR9CYP11B1
SCHEMBL18867950 0.81 TFPI2 (0.47) HTR2AHTR2CTUBB1NOTUMCYP11B1
SCHEMBL28701515 0.81 TFPI2 (0.47) HTR2AHTR2CTUBB1NOTUMCYP11B1
SCHEMBL28685389 0.81 TUBB1 (0.38) OXER1TUBB1RAB9ANOTUMCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 CN disclosed
CN-113735832-B Preparation method of 7-succinimidyl indole compound 温州医科大学 2023-07-04 CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 CN disclosed
CN-113735832-A Preparation method of 7-succinimide indole compound 温州医科大学 2021-12-03 CN disclosed